| 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 | 36.1 | Very low | 46.9 | Very low | 226 Ų | 226 | 155.2 Ų | 155.2 | 100% | 1.113 | 81% | 0.814 | S | S | * | * | 0 | 119.8 | 0 | -68.4 | 169.9 | 63.6 | 0 | 0 | 106.2 | |||||
| 2 | E | 41 | Very low | 46.9 | Very low | 170 Ų | 170 | 152.3 Ų | 152.3 | 79% | 0.794 | 81% | 0.807 | S | S | * | * | cis | -150.8 | 138 | 6.9 | -85.6 | 159.9 | 152 | 0 | 0 | 105.4 | R4 | E2-R4 PolarHBondContact O-N 2.77Š| ||
| 3 | G | 43.6 | Very low | 47 | Very low | 61 Ų | 61 | 153.1 Ų | 153.1 | 63% | 0.629 | 81% | 0.81 | S | S | * | * | trans | -67.8 | 121.9 | 179 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y5 | G3-Y5 VanDerWaalsContact C-N 3.34Å; G3-Y5 PolarHBondContact O-N 2.73Å | ||
| 4 | R | 48.5 | Very low | 46.8 | Very low | 252 Ų | 252 | 150.6 Ų | 150.6 | 95% | 0.951 | 80% | 0.804 | S | S | * | * | trans | -69 | 88.3 | 172.2 | -70.1 | -177.6 | 172.8 | -159.8 | -1.8 | 109.6 | E2 A6 | E2-R4 PolarHBondContact O-N 2.77Å; R4-A6 PolarHBondContact O-N 2.78Å | ||
| 5 | Y | 51.9 | Low | 46.9 | Very low | 209 Ų | 209 | 146.7 Ų | 146.7 | 82% | 0.82 | 80% | 0.802 | S | S | * | * | trans | -84.5 | 91.8 | 164 | -69.7 | -79.1 | 0 | 0 | 0 | 108.5 | G3 L7 | G3-Y5 VanDerWaalsContact C-N 3.34Å; G3-Y5 PolarHBondContact O-N 2.73Å; Y5-L7 PolarHBondContact O-N 3.38Å; Y5-L7 VanDerWaalsContact O-N 3.07Å | ||
| 6 | A | 49 | Very low | 47.1 | Very low | 89 Ų | 89 | 142.1 Ų | 142.1 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | trans | -70.5 | 97.3 | 167.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | R4 L8 | R4-A6 PolarHBondContact O-N 2.78Å; A6-L8 PolarHBondContact O-N 2.96Å | ||
| 7 | L | 47.9 | Very low | 47.3 | Very low | 154 Ų | 154 | 139.4 Ų | 139.4 | 81% | 0.806 | 78% | 0.784 | S | S | * | * | trans | -63.2 | 99.8 | 167.5 | -97.4 | 122.3 | 0 | 0 | 0 | 108.6 | Y5 L9 | Y5-L7 PolarHBondContact O-N 3.38Å; Y5-L7 VanDerWaalsContact O-N 3.07Å; L7-L9 VanDerWaalsContact C-N 3.34Å; L7-L9 PolarHBondContact O-N 3.01Å | ||
| 8 | L | 49.4 | Very low | 47.9 | Very low | 156 Ų | 156 | 136.3 Ų | 136.3 | 82% | 0.817 | 76% | 0.762 | S | S | * | * | trans | -67.6 | 94.3 | 163.5 | -89.9 | 143.5 | 0 | 0 | 0 | 107.8 | A6 L10 | A6-L8 PolarHBondContact O-N 2.96Å; L8-L10 VanDerWaalsContact C-N 3.33Å; L8-L10 PolarHBondContact O-N 2.79Å | ||
| 9 | L | 49.2 | Very low | 48.7 | Very low | 156 Ų | 156 | 133.2 Ų | 133.2 | 82% | 0.817 | 74% | 0.743 | S | S | * | * | trans | -63.9 | 96.2 | 163.9 | -79.6 | 156.2 | 0 | 0 | 0 | 107.6 | L7 A11 | L7-L9 VanDerWaalsContact C-N 3.34Å; L7-L9 PolarHBondContact O-N 3.01Å; L9-A11 PolarHBondContact O-N 3.29Å | ||
| 10 | L | 48.6 | Very low | 49.8 | Very low | 153 Ų | 153 | 129.8 Ų | 129.8 | 80% | 0.801 | 73% | 0.727 | S | S | * | * | trans | -64 | 92.3 | 160.9 | -113.8 | 88.6 | 0 | 0 | 0 | 106.7 | L8 V12 | L8-L10 VanDerWaalsContact C-N 3.33Å; L8-L10 PolarHBondContact O-N 2.79Å; L10-V12 VanDerWaalsContact C-N 3.32Å; L10-V12 PolarHBondContact O-N 3.3Å | ||
| 11 | A | 50.7 | Low | 51.6 | Low | 81 Ų | 81 | 126.9 Ų | 126.9 | 67% | 0.669 | 71% | 0.709 | S | S | * | * | trans | -63.1 | 101.4 | 163.4 | 0 | 0 | 0 | 0 | 0 | 106.5 | L9 L13 | L9-A11 PolarHBondContact O-N 3.29Å; A11-L13 PolarHBondContact O-N 2.03Å | ||
| 12 | V | 47.1 | Very low | 54.3 | Low | 120 Ų | 120 | 116.1 Ų | 116.1 | 73% | 0.727 | 66% | 0.656 | S | S | * | * | trans | -64.1 | 93.8 | 165.9 | 179.3 | 0 | 0 | 0 | 0 | 105.3 | L10 T14 | L10-V12 VanDerWaalsContact C-N 3.32Å; L10-V12 PolarHBondContact O-N 3.3Å; V12-T14 HydrophobicContact CG1-CG2 4.26Å; V12-T14 PolarHBondContact O-N 2.58Å | ||
| 13 | L | 48.2 | Very low | 56.9 | Low | 163 Ų | 163 | 109.8 Ų | 109.8 | 85% | 0.853 | 63% | 0.627 | S | S | * | * | trans | -63.6 | 87.8 | 165.3 | -74.7 | 159.7 | 0 | 0 | 0 | 105.8 | A11 A15 | A11-L13 PolarHBondContact O-N 2.03Å; L13-A15 VanDerWaalsContact C-N 3.27Å; L13-A15 PolarHBondContact O-N 3.06Å | ||
| 14 | T | 44.5 | Very low | 59.5 | Low | 118 Ų | 118 | 106.9 Ų | 106.9 | 72% | 0.724 | 60% | 0.597 | S | S | * | * | trans | -60.9 | 103.1 | 157.8 | 51.9 | 0 | 0 | 0 | 0 | 104.6 | V12 S16 | V12-T14 HydrophobicContact CG1-CG2 4.26Å; V12-T14 PolarHBondContact O-N 2.58Å; T14-S16 PolarHBondContact O-N 3.21Å | ||
| 15 | A | 47.5 | Very low | 61.9 | Low | 93 Ų | 93 | 96.9 Ų | 96.9 | 77% | 0.769 | 56% | 0.56 | S | S | * | * | trans | -48.6 | 116.5 | 163.8 | 0 | 0 | 0 | 0 | 0 | 105.3 | L13 A17 | L13-A15 VanDerWaalsContact C-N 3.27Å; L13-A15 PolarHBondContact O-N 3.06Å; A15-A17 PolarHBondContact O-N 3.35Å | ||
| 16 | S | 50.8 | Low | 64 | Low | 73 Ų | 73 | 87.9 Ų | 87.9 | 51% | 0.51 | 53% | 0.525 | S | S | . | . | trans | -54 | 120.4 | 171.2 | 51.5 | 0 | 0 | 0 | 0 | 105 | T14 Q18 E86 | T14-S16 PolarHBondContact O-N 3.21Å; S16-Q18 PolarHBondContact O-N 3.21Å; S16-E86 WeakPolarHBondContact CB-OE1 3.3Å; S16-E86 PolarHBondContact OG-OE1 3.29Å | ||
| 17 | A | 50.4 | Low | 66.2 | Low | 95 Ų | 95 | 85.2 Ų | 85.2 | 79% | 0.785 | 50% | 0.498 | S | S | * | . | trans | -58.3 | 111.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 105.2 | A15 N19 | A15-A17 PolarHBondContact O-N 3.35Å; A17-N19 PolarHBondContact O-N 2.84Å; A17-N19 VanDerWaalsContact O-N 3.14Å | ||
| 18 | Q | 57.5 | Low | 68.3 | Low | 84 Ų | 84 | 82.8 Ų | 82.8 | 39% | 0.393 | 49% | 0.486 | S | S | . | . | trans | -50.8 | 126.2 | 179.2 | -70.9 | -172.8 | -23.2 | 0 | 0 | 107.4 | S16 T20 | S16-Q18 PolarHBondContact O-N 3.21Å; Q18-T20 HydrophobicContact CB-CG2 4.22Å; Q18-T20 PolarHBondContact O-N 2.64Å | ||
| 19 | N | 64.2 | Low | 70.4 | Confident | 77 Ų | 77 | 76.6 Ų | 76.6 | 41% | 0.412 | 46% | 0.46 | S | S | . | . | trans | -71.3 | 88 | 178.6 | -174.5 | 12.2 | 0 | 0 | 0 | 108.9 | A17 N21 F22 | A17-N19 PolarHBondContact O-N 2.84Å; A17-N19 VanDerWaalsContact O-N 3.14Å; N19-N21 VanDerWaalsContact C-N 3.32Å; N19-N21 PolarHBondContact OD1-N 3.39Å; N19-F22 WeakPolarHBondContact O-CE1 3.32Å | ||
| 20 | T | 70.8 | Confident | 72.5 | Confident | 66 Ų | 66 | 73.9 Ų | 73.9 | 41% | 0.405 | 45% | 0.447 | S | S | . | . | trans | -86.6 | -6.2 | -179 | 51.4 | 0 | 0 | 0 | 0 | 112.6 | Q18 F22 P117 | Q18-T20 HydrophobicContact CB-CG2 4.22Å; Q18-T20 PolarHBondContact O-N 2.64Å; T20-F22 PolarHBondContact O-N 2.87Å; T20-P117 HydrophobicContact CG2-CB 4.4Å; T20-P117 WeakPolarHBondContact O-CG 3.41Å | ||
| 21 | N | 85.8 | Confident | 74.7 | Confident | 68 Ų | 68 | 67.7 Ų | 67.7 | 36% | 0.364 | 42% | 0.42 | S | S | . | . | trans | -106.2 | 72.3 | -175 | -171.8 | 43.3 | 0 | 0 | 0 | 111.2 | N19 E23 K156 | N19-N21 VanDerWaalsContact C-N 3.32Å; N19-N21 PolarHBondContact OD1-N 3.39Å; N21-E23 PolarHBondContact ND2-OE1 3.47Å; N21-K156 WeakPolarHBondContact OD1-CE 3.26Å; N21-K156 PolarHBondContact OD1-NZ 2.92Å | ||
| 22 | F | 94.3 | Very high | 76.8 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 39% | 0.393 | C | S | . | . | trans | -69.7 | 136.6 | 173.3 | -80.4 | 27.3 | 0 | 0 | 0 | 110.4 | N19 T20 Q72 L76 V90 M115 P117 I122 | N19-F22 WeakPolarHBondContact O-CE1 3.32Å; T20-F22 PolarHBondContact O-N 2.87Å; F22-Q72 HydrophobicContact CD1-CB 4.25Å; F22-Q72 HydrophobicContact CD2-CB 4.2Å; F22-Q72 HydrophobicContact CE1-CB 4.12Å; F22-Q72 WeakPolarHBondContact CE1-O 3.37Å; F22-Q72 HydrophobicContact CE2-CB 4.08Å; F22-Q72 HydrophobicContact CG-CB 4.29Å; F22-Q72 HydrophobicContact CZ-CB 4.04Å; F22-Q72 WeakPolarHBondContact CZ-O 3.06Å; F22-L76 HydrophobicContact CZ-CD1 4.07Å; F22-V90 HydrophobicContact CE2-CG1 4.15Å; F22-V90 HydrophobicContact CZ-CG1 4.25Å; F22-V90 HydrophobicContact CZ-CG2 4.16Å; F22-M115 HydrophobicContact CD2-CB 3.71Å; F22-M115 HydrophobicContact CD2-CE 4.15Å; F22-M115 HydrophobicContact CE2-CB 3.8Å; F22-M115 HydrophobicContact CE2-CE 4.3Å; F22-M115 HydrophobicContact CE2-SD 4.31Å; F22-P117 HydrophobicContact CD1-CG 4.09Å; F22-P117 HydrophobicContact CE1-CG 4.44Å; F22-P117 HydrophobicContact CG-CG 4.34Å; F22-I122 HydrophobicContact CB-CG1 4.36Å; F22-I122 HydrophobicContact CB-CG2 4.28Å; F22-I122 WeakPolarHBondContact O-CG2 3.46Å | ||
| 23 | E | 95.6 | Very high | 79.1 | Confident | 37 Ų | 37 | 60.6 Ų | 60.6 | 17% | 0.173 | 37% | 0.369 | C | S | . | . | trans | -137.7 | 162.9 | -175.6 | -65.6 | -177.4 | 150.6 | 0 | 0 | 111.6 | N21 K25 Q72 K156 | N21-E23 PolarHBondContact ND2-OE1 3.47Å; E23-K25 PolarHBondContact O-N 3.19Å; E23-Q72 PolarHBondContact O-NE2 3.29Å; E23-Q72 PolarHBondContact O-OE1 2.68Å; E23-K156 HydrophobicContact CG-CD 4.2Å; E23-K156 IonicContact OE1-NZ 2.74Å; E23-K156 PolarHBondContact OE1-NZ 3.08Å | ||
| 24 | C | 97.6 | Very high | 81.5 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 110.2 | 170.4 | -56.5 | 0 | 0 | 0 | 0 | 108.6 | Y26 G31 G32 M35 C154 V155 | C24-Y26 VanDerWaalsContact O-CE1 3.22Å; C24-Y26 WeakPolarHBondContact O-CE1 3.13Å; C24-G31 VanDerWaalsContact O-CA 3.28Å; C24-G31 WeakPolarHBondContact O-CA 3.39Å; C24-G32 WeakPolarHBondContact CB-O 3.19Å; C24-G32 PolarHBondContact N-O 2.87Å; C24-G32 PolarHBondContact O-N 2.88Å; C24-M35 HydrophobicContact CB-CB 3.81Å; C24-C154 WeakPolarHBondContact CA-SG 3.01Å; C24-C154 HydrophobicContact CB-CB 3.68Å; C24-C154 WeakPolarHBondContact CB-SG 3.48Å; C24-C154 WeakPolarHBondContact SG-CB 3.39Å; C24-C154 PolarHBondContact SG-O 3.13Å; C24-C154 CovalentContact SG-SG 2.04Å; C24-C154 PolarHBondContact SG-SG 2.69Å; C24-V155 PolarHBondContact SG-N 2.72Å; C24-V155 VanDerWaalsContact SG-N 3.39Å |
| 25 | K | 98 | Very high | 84 | Confident | 43 Ų | 43 | 47.2 Ų | 47.2 | 19% | 0.187 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 149.7 | -174.2 | -65.9 | -62.6 | -169.7 | 178.4 | 0 | 112.2 | E23 G29 N30 P65 R68 T69 Q72 | E23-K25 PolarHBondContact O-N 3.19Å; K25-G29 PolarHBondContact NZ-O 3.44Å; K25-N30 CarbonylContact C-O 3.51Å; K25-N30 WeakPolarHBondContact CA-O 3.43Å; K25-P65 WeakPolarHBondContact O-CB 3.41Å; K25-R68 HydrophobicContact CB-CB 3.59Å; K25-R68 HydrophobicContact CG-CB 4.04Å; K25-T69 PolarHBondContact N-OG1 3.17Å; K25-Q72 VanDerWaalsContact CE-OE1 3.31Å; K25-Q72 HydrophobicContact CG-CG 4.38Å |
| 26 | Y | 97.5 | Very high | 86.5 | Confident | 19 Ų | 19 | 42.8 Ų | 42.8 | 8% | 0.075 | 26% | 0.257 | C | S | . | . | trans | -110.7 | 175.3 | 177.5 | -46.7 | -32.5 | 0 | 0 | 0 | 110.6 | C24 D28 G29 N30 G32 M35 A50 P51 I53 R68 | C24-Y26 VanDerWaalsContact O-CE1 3.22Å; C24-Y26 WeakPolarHBondContact O-CE1 3.13Å; Y26-D28 PolarHBondContact O-N 2.77Å; Y26-G29 PolarHBondContact O-N 2.78Å; Y26-G29 VanDerWaalsContact O-N 3.17Å; Y26-N30 HydrophobicContact CD2-CB 4.19Å; Y26-N30 PolarHBondContact N-O 2.73Å; Y26-G32 WeakPolarHBondContact OH-CA 3.44Å; Y26-G32 PolarHBondContact OH-N 2.9Å; Y26-M35 HydrophobicContact CD1-CB 4.45Å; Y26-M35 HydrophobicContact CD1-CG 4.46Å; Y26-M35 HydrophobicContact CE1-CB 4.24Å; Y26-A50 HydrophobicContact CD1-CB 3.56Å; Y26-A50 HydrophobicContact CE1-CB 3.31Å; Y26-A50 HydrophobicContact CE2-CB 4.38Å; Y26-A50 HydrophobicContact CG-CB 4.23Å; Y26-P51 VanDerWaalsContact OH-CD 3.31Å; Y26-P51 WeakPolarHBondContact OH-CD 3.45Å; Y26-I53 HydrophobicContact CD2-CD1 4.05Å; Y26-I53 HydrophobicContact CG-CD1 4.26Å; Y26-R68 WeakPolarHBondContact O-CD 3.12Å | ||
| 27 | D | 94 | Very high | 88.7 | Confident | 33 Ų | 33 | 39.4 Ų | 39.4 | 18% | 0.176 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -36.6 | -179.6 | -84.2 | -4.7 | 0 | 0 | 0 | 113.6 | G29 F48 K56 S58 P65 R68 | D27-G29 PolarHBondContact O-N 2.89Å; D27-F48 HydrophobicContact CB-CE1 4.19Å; D27-F48 HydrophobicContact CB-CZ 4.02Å; D27-F48 WeakPolarHBondContact OD1-CE1 2.86Å; D27-F48 WeakPolarHBondContact OD2-CE1 3.35Å; D27-K56 IonicContact OD2-NZ 3.85Å; D27-K56 PolarHBondContact OD2-NZ 2.9Å; D27-S58 WeakPolarHBondContact OD1-CB 3.43Å; D27-S58 PolarHBondContact OD1-OG 3.16Å; D27-P65 WeakPolarHBondContact OD1-CD 3.39Å; D27-P65 WeakPolarHBondContact OD1-CG 3.22Å; D27-R68 PolarHBondContact O-NE 3.36Å |
| 28 | D | 93.3 | Very high | 91 | Very high | 103 Ų | 103 | 34.9 Ų | 34.9 | 55% | 0.551 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | 2.6 | -175.1 | 64.7 | -4.4 | 0 | 0 | 0 | 113.3 | Y26 N30 | Y26-D28 PolarHBondContact O-N 2.77Å; D28-N30 PolarHBondContact O-N 3.21Å; D28-N30 VanDerWaalsContact OD1-CB 3.24Å; D28-N30 WeakPolarHBondContact OD1-CB 3.34Å; D28-N30 PolarHBondContact OD1-N 2.65Å; D28-N30 PolarHBondContact OD2-ND2 2.95Å |
| 29 | G | 91.9 | Very high | 92.9 | Very high | 27 Ų | 27 | 31.3 Ų | 31.3 | 28% | 0.278 | 18% | 0.179 | S | C | . | . | S | Bend | trans | 83.5 | -10.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | K25 Y26 D27 | K25-G29 PolarHBondContact NZ-O 3.44Å; Y26-G29 PolarHBondContact O-N 2.78Å; Y26-G29 VanDerWaalsContact O-N 3.17Å; D27-G29 PolarHBondContact O-N 2.89Å |
| 30 | N | 94.9 | Very high | 94.4 | Very high | 99 Ų | 99 | 27.9 Ų | 27.9 | 53% | 0.529 | 16% | 0.161 | S | C | . | . | trans | -67.4 | 159.7 | 170.4 | -65.7 | -45.2 | 0 | 0 | 0 | 110.2 | K25 Y26 D28 | K25-N30 CarbonylContact C-O 3.51Å; K25-N30 WeakPolarHBondContact CA-O 3.43Å; Y26-N30 HydrophobicContact CD2-CB 4.19Å; Y26-N30 PolarHBondContact N-O 2.73Å; D28-N30 PolarHBondContact O-N 3.21Å; D28-N30 VanDerWaalsContact OD1-CB 3.24Å; D28-N30 WeakPolarHBondContact OD1-CB 3.34Å; D28-N30 PolarHBondContact OD1-N 2.65Å; D28-N30 PolarHBondContact OD2-ND2 2.95Å | ||
| 31 | G | 95.1 | Very high | 95.5 | Very high | 23 Ų | 23 | 25.8 Ų | 25.8 | 24% | 0.237 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 166.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | C24 | C24-G31 VanDerWaalsContact O-CA 3.28Å; C24-G31 WeakPolarHBondContact O-CA 3.39Å |
| 32 | G | 94.6 | Very high | 95.5 | Very high | 11 Ų | 11 | 27.4 Ų | 27.4 | 11% | 0.113 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.3 | -160.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | C24 Y26 W34 | C24-G32 WeakPolarHBondContact CB-O 3.19Å; C24-G32 PolarHBondContact N-O 2.87Å; C24-G32 PolarHBondContact O-N 2.88Å; Y26-G32 WeakPolarHBondContact OH-CA 3.44Å; Y26-G32 PolarHBondContact OH-N 2.9Å; G32-W34 PolarHBondContact O-N 3Å |
| 33 | D | 94.8 | Very high | 94.8 | Very high | 40 Ų | 40 | 30.3 Ų | 30.3 | 21% | 0.214 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -71.7 | -25.5 | -164.7 | -69.7 | -14.3 | 0 | 0 | 0 | 114.2 | V155 K156 S216 S217 | D33-V155 CarbonylContact O-C 3.48Å; D33-V155 WeakPolarHBondContact O-CA 3.45Å; D33-K156 PolarHBondContact O-N 2.92Å; D33-S216 PolarHBondContact OD2-OG 2.9Å; D33-S217 VanDerWaalsContact CB-OG 3.29Å; D33-S217 WeakPolarHBondContact CB-OG 3.44Å; D33-S217 WeakPolarHBondContact OD2-CB 3.25Å; D33-S217 PolarHBondContact OD2-OG 3.42Å |
| 34 | W | 97.4 | Very high | 94.2 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 0% | 0.004 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 158.4 | 177.7 | 61.1 | -88.7 | 0 | 0 | 0 | 112.5 | G32 V36 M49 A50 P51 C154 L218 E321 I322 | G32-W34 PolarHBondContact O-N 3Å; W34-V36 HydrophobicContact CE3-CG2 4.38Å; W34-M49 HydrophobicContact CH2-CE 4.02Å; W34-M49 HydrophobicContact CZ3-CE 4.25Å; W34-M49 HydrophobicContact CZ3-CG 4.27Å; W34-A50 VanDerWaalsContact CZ3-CA 3.4Å; W34-P51 HydrophobicContact CD2-CG 4.23Å; W34-P51 HydrophobicContact CG-CG 4.41Å; W34-P51 HydrophobicContact CZ2-CB 4.39Å; W34-P51 HydrophobicContact CZ2-CG 3.99Å; W34-P51 VanDerWaalsContact O-CD 3.29Å; W34-P51 WeakPolarHBondContact O-CD 3.28Å; W34-C154 CarbonylContact C-O 3.6Å; W34-C154 WeakPolarHBondContact CA-O 3.12Å; W34-L218 HydrophobicContact CB-CD2 4.02Å; W34-L218 HydrophobicContact CG-CD2 3.85Å; W34-E321 HydrophobicContact CH2-CB 4.35Å; W34-E321 HydrophobicContact CZ2-CB 4.37Å; W34-I322 HydrophobicContact CD2-CD1 3.75Å; W34-I322 HydrophobicContact CD2-CG1 4.34Å; W34-I322 HydrophobicContact CE3-CD1 3.6Å; W34-I322 HydrophobicContact CE3-CG1 3.89Å; W34-I322 HydrophobicContact CG-CD1 4.46Å; W34-I322 HydrophobicContact CH2-CD1 4.1Å; W34-I322 HydrophobicContact CH2-CG1 3.59Å; W34-I322 HydrophobicContact CZ2-CD1 4.21Å; W34-I322 HydrophobicContact CZ2-CG1 4.05Å; W34-I322 HydrophobicContact CZ3-CD1 3.78Å; W34-I322 HydrophobicContact CZ3-CG1 3.48Å; W34-I322 VanDerWaalsContact CZ3-CG1 3.48Å |
| 35 | M | 98.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 140 | 171.4 | 178.2 | -89.2 | -73.6 | 0 | 0 | 109.4 | C24 Y26 A37 F48 P65 F152 V153 C154 | C24-M35 HydrophobicContact CB-CB 3.81Å; Y26-M35 HydrophobicContact CD1-CB 4.45Å; Y26-M35 HydrophobicContact CD1-CG 4.46Å; Y26-M35 HydrophobicContact CE1-CB 4.24Å; M35-A37 HydrophobicContact CE-CB 4.47Å; M35-A37 HydrophobicContact SD-CB 3.56Å; M35-A37 VanDerWaalsContact SD-CB 3.56Å; M35-A37 PolarHBondContact SD-N 2.82Å; M35-F48 HydrophobicContact CG-CD2 4.18Å; M35-P65 HydrophobicContact CE-CB 3.72Å; M35-P65 HydrophobicContact CG-CB 4.37Å; M35-P65 HydrophobicContact SD-CB 4.15Å; M35-F152 HydrophobicContact CE-CD1 3.72Å; M35-F152 HydrophobicContact CE-CE1 3.65Å; M35-F152 HydrophobicContact SD-CD1 4.33Å; M35-V153 WeakPolarHBondContact O-CA 3.34Å; M35-C154 PolarHBondContact N-O 3.02Å; M35-C154 PolarHBondContact O-N 2.88Å |
| 36 | V | 98.7 | Very high | 94 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 120.2 | 170.4 | -178.5 | 0 | 0 | 0 | 0 | 108.3 | W34 F48 M49 W55 M151 V153 W296 I322 F326 | W34-V36 HydrophobicContact CE3-CG2 4.38Å; V36-F48 CarbonylContact O-C 3.44Å; V36-F48 WeakPolarHBondContact O-CA 3.25Å; V36-F48 WeakPolarHBondContact O-CB 3.36Å; V36-M49 HydrophobicContact CB-CG 4Å; V36-M49 PolarHBondContact N-O 3.47Å; V36-M49 PolarHBondContact O-N 2.94Å; V36-W55 HydrophobicContact CG1-CH2 4.01Å; V36-M151 HydrophobicContact CG1-CG 4.12Å; V36-M151 HydrophobicContact CG1-SD 3.81Å; V36-V153 HydrophobicContact CG1-CG2 4.36Å; V36-V153 HydrophobicContact CG2-CG1 4.33Å; V36-V153 HydrophobicContact CG2-CG2 4.45Å; V36-W296 HydrophobicContact CG1-CH2 4.38Å; V36-W296 HydrophobicContact CG2-CH2 4.23Å; V36-W296 HydrophobicContact CG2-CZ3 4.45Å; V36-I322 HydrophobicContact CG2-CD1 4.42Å; V36-I322 HydrophobicContact CG2-CG1 4.48Å; V36-F326 HydrophobicContact CG1-CE2 4.13Å; V36-F326 HydrophobicContact CG1-CZ 4.11Å |
| 37 | A | 98.4 | Very high | 94.1 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.008 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 129.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | M35 A47 F48 I66 M151 F152 | M35-A37 HydrophobicContact CE-CB 4.47Å; M35-A37 HydrophobicContact SD-CB 3.56Å; M35-A37 VanDerWaalsContact SD-CB 3.56Å; M35-A37 PolarHBondContact SD-N 2.82Å; A37-A47 CarbonylContact C-O 3.59Å; A37-A47 WeakPolarHBondContact CA-O 3.42Å; A37-F48 HydrophobicContact CB-CB 4.04Å; A37-I66 HydrophobicContact CB-CD1 3.91Å; A37-I66 HydrophobicContact CB-CG1 3.86Å; A37-M151 CarbonylContact O-C 3.04Å; A37-M151 VanDerWaalsContact O-CA 3.31Å; A37-M151 WeakPolarHBondContact O-CA 3.41Å; A37-M151 WeakPolarHBondContact O-CG 3.46Å; A37-F152 HydrophobicContact CB-CB 4.34Å; A37-F152 PolarHBondContact N-O 3.33Å; A37-F152 PolarHBondContact O-N 3.19Å |
| 38 | Y | 98.2 | Very high | 94.3 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 0% | 0.004 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 118.9 | 179.4 | -175.9 | -85.9 | 0 | 0 | 0 | 109.2 | F40 T46 A47 A149 F271 L273 I278 D283 T285 | Y38-F40 HydrophobicContact CD1-CD1 4.29Å; Y38-F40 HydrophobicContact CD1-CE1 4.39Å; Y38-F40 HydrophobicContact CE1-CD1 4.06Å; Y38-F40 HydrophobicContact CE1-CE1 4.41Å; Y38-T46 CarbonylContact O-C 3.59Å; Y38-T46 WeakPolarHBondContact O-CA 3.39Å; Y38-T46 WeakPolarHBondContact O-CB 3.31Å; Y38-A47 PolarHBondContact N-O 2.65Å; Y38-A47 PolarHBondContact O-N 2.64Å; Y38-A149 HydrophobicContact CE1-CB 3.92Å; Y38-A149 HydrophobicContact CE2-CB 4.25Å; Y38-A149 WeakPolarHBondContact OH-CB 3.36Å; Y38-F271 HydrophobicContact CE2-CZ 4.46Å; Y38-L273 HydrophobicContact CD1-CD2 3.85Å; Y38-L273 HydrophobicContact CE1-CD2 4.38Å; Y38-L273 HydrophobicContact CG-CD2 4.16Å; Y38-I278 HydrophobicContact CE1-CG1 4.4Å; Y38-I278 WeakPolarHBondContact OH-CG2 3.33Å; Y38-D283 PolarHBondContact OH-OD2 3.45Å; Y38-T285 HydrophobicContact CE2-CG2 4.3Å |
| 39 | K | 97 | Very high | 94.5 | Very high | 9 Ų | 9 | 24.1 Ų | 24.1 | 4% | 0.039 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 128.2 | 173.4 | 178.6 | -156.9 | 131.7 | 68.3 | 0 | 109.2 | D43 T46 M60 F128 S146 K148 A149 G150 | K39-D43 PolarHBondContact NZ-O 3.43Å; K39-T46 HydrophobicContact CB-CG2 4.25Å; K39-M60 HydrophobicContact CB-SD 4.49Å; K39-M60 HydrophobicContact CD-CE 4Å; K39-M60 HydrophobicContact CD-SD 3.67Å; K39-M60 HydrophobicContact CG-CE 4.37Å; K39-M60 HydrophobicContact CG-SD 3.67Å; K39-F128 HydrophobicContact CB-CE1 3.86Å; K39-F128 HydrophobicContact CB-CZ 4.12Å; K39-F128 HydrophobicContact CD-CE1 3.91Å; K39-F128 HydrophobicContact CG-CE1 4.47Å; K39-S146 PolarHBondContact NZ-O 3.1Å; K39-K148 WeakPolarHBondContact CE-O 3.41Å; K39-A149 WeakPolarHBondContact O-CA 3.25Å; K39-A149 WeakPolarHBondContact O-CB 3.44Å; K39-G150 PolarHBondContact N-O 2.83Å; K39-G150 PolarHBondContact O-N 2.83Å |
| 40 | F | 96.4 | Very high | 94.8 | Very high | 4 Ų | 4 | 22.8 Ų | 22.8 | 2% | 0.018 | 13% | 0.127 | C | C | . | . | P | Polyproline II helix | trans | -71.8 | 157.4 | 174.7 | -67.4 | -76.4 | 0 | 0 | 0 | 112.5 | Y38 S45 A47 L273 L274 K276 I278 | Y38-F40 HydrophobicContact CD1-CD1 4.29Å; Y38-F40 HydrophobicContact CD1-CE1 4.39Å; Y38-F40 HydrophobicContact CE1-CD1 4.06Å; Y38-F40 HydrophobicContact CE1-CE1 4.41Å; F40-S45 WeakPolarHBondContact CD2-O 3.33Å; F40-S45 WeakPolarHBondContact CD2-OG 3.36Å; F40-S45 PolarHBondContact N-O 3.08Å; F40-A47 HydrophobicContact CE2-CB 3.82Å; F40-A47 HydrophobicContact CZ-CB 3.81Å; F40-L273 HydrophobicContact CE1-CB 4.11Å; F40-L273 HydrophobicContact CE1-CD2 3.99Å; F40-L273 HydrophobicContact CE1-CG 4.02Å; F40-L273 HydrophobicContact CZ-CB 4.5Å; F40-L273 HydrophobicContact CZ-CD2 4.05Å; F40-L273 HydrophobicContact CZ-CG 3.98Å; F40-L274 HydrophobicContact CZ-CB 4.33Å; F40-K276 HydrophobicContact CB-CD 4.33Å; F40-K276 HydrophobicContact CD1-CB 3.98Å; F40-K276 HydrophobicContact CD1-CD 3.74Å; F40-K276 HydrophobicContact CD1-CG 4.45Å; F40-K276 HydrophobicContact CD2-CD 3.94Å; F40-K276 HydrophobicContact CE1-CB 3.79Å; F40-K276 HydrophobicContact CE1-CD 3.92Å; F40-K276 HydrophobicContact CE1-CG 4.31Å; F40-K276 HydrophobicContact CE2-CD 4.11Å; F40-K276 HydrophobicContact CG-CD 3.74Å; F40-K276 HydrophobicContact CZ-CB 4.46Å; F40-K276 HydrophobicContact CZ-CD 4.1Å; F40-I278 HydrophobicContact CD1-CD1 3.96Å; F40-I278 HydrophobicContact CD1-CG1 4.23Å; F40-I278 HydrophobicContact CE1-CD1 3.87Å |
| 41 | P | 93.1 | Very high | 94.9 | Very high | 22 Ų | 22 | 19.5 Ų | 19.5 | 14% | 0.143 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -63.3 | 157 | 170.9 | -17.7 | 30.9 | 0 | 0 | 0 | 112.4 | D43 N147 A149 I278 | P41-D43 PolarHBondContact O-N 3.23Å; P41-N147 WeakPolarHBondContact CB-O 3.02Å; P41-A149 HydrophobicContact CG-CB 3.99Å; P41-I278 HydrophobicContact CG-CG2 4.31Å |
| 42 | Q | 85.9 | Confident | 94.9 | Very high | 103 Ų | 103 | 29.5 Ų | 29.5 | 48% | 0.481 | 14% | 0.142 | S | C | . | . | S | Bend | trans | 65.4 | -39.9 | 173 | -54.5 | -68.4 | 5.1 | 0 | 0 | 117.9 | R145 N147 | Q42-R145 PolarHBondContact O-NH2 2.76Å; Q42-N147 PolarHBondContact N-O 3.38Å |
| 43 | D | 80.1 | Confident | 95 | Very high | 60 Ų | 60 | 31.1 Ų | 31.1 | 32% | 0.321 | 15% | 0.147 | S | C | . | . | S | Bend | trans | -108.2 | 175.5 | 179.1 | 68.8 | 41.5 | 0 | 0 | 0 | 112.2 | K39 P41 S45 K276 | K39-D43 PolarHBondContact NZ-O 3.43Å; P41-D43 PolarHBondContact O-N 3.23Å; D43-S45 VanDerWaalsContact CG-OG 3.26Å; D43-S45 WeakPolarHBondContact OD1-CA 3.2Å; D43-S45 VanDerWaalsContact OD1-CB 3.29Å; D43-S45 WeakPolarHBondContact OD1-CB 3.34Å; D43-S45 PolarHBondContact OD1-N 2.82Å; D43-S45 PolarHBondContact OD1-OG 2.78Å; D43-S45 PolarHBondContact OD2-OG 2.92Å; D43-K276 IonicContact OD1-NZ 2.66Å; D43-K276 IonicContact OD2-NZ 3.16Å; D43-K276 PolarHBondContact OD2-NZ 3.15Å |
| 44 | E | 83.3 | Confident | 95.1 | Very high | 68 Ų | 68 | 34 Ų | 34 | 32% | 0.318 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -99.4 | 16.1 | 177 | -61.5 | -173.8 | 165.4 | 0 | 0 | 112.5 | M60 K142 | E44-M60 HydrophobicContact CB-CG 4.49Å; E44-M60 HydrophobicContact CB-SD 4.2Å; E44-M60 WeakPolarHBondContact O-CG 3.41Å; E44-M60 PolarHBondContact O-N 3.06Å; E44-K142 WeakPolarHBondContact OE2-CD 3.4Å; E44-K142 WeakPolarHBondContact OE2-CE 3.46Å; E44-K142 IonicContact OE2-NZ 3.77Å; E44-K142 PolarHBondContact OE2-NZ 2.98Å |
| 45 | S | 94.7 | Very high | 95.1 | Very high | 30 Ų | 30 | 36 Ų | 36 | 21% | 0.21 | 18% | 0.178 | C | C | . | . | trans | -76.7 | 148 | 173.5 | 71.8 | 0 | 0 | 0 | 0 | 110.3 | F40 D43 K276 | F40-S45 WeakPolarHBondContact CD2-O 3.33Å; F40-S45 WeakPolarHBondContact CD2-OG 3.36Å; F40-S45 PolarHBondContact N-O 3.08Å; D43-S45 VanDerWaalsContact CG-OG 3.26Å; D43-S45 WeakPolarHBondContact OD1-CA 3.2Å; D43-S45 VanDerWaalsContact OD1-CB 3.29Å; D43-S45 WeakPolarHBondContact OD1-CB 3.34Å; D43-S45 PolarHBondContact OD1-N 2.82Å; D43-S45 PolarHBondContact OD1-OG 2.78Å; D43-S45 PolarHBondContact OD2-OG 2.92Å; S45-K276 PolarHBondContact OG-NZ 3.35Å | ||
| 46 | T | 97.5 | Very high | 95.1 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 160.7 | 176.4 | 65.9 | 0 | 0 | 0 | 0 | 109.8 | Y38 K39 S57 S58 S59 M60 I66 | Y38-T46 CarbonylContact O-C 3.59Å; Y38-T46 WeakPolarHBondContact O-CA 3.39Å; Y38-T46 WeakPolarHBondContact O-CB 3.31Å; K39-T46 HydrophobicContact CB-CG2 4.25Å; T46-S57 WeakPolarHBondContact O-CA 3.36Å; T46-S58 PolarHBondContact N-O 2.82Å; T46-S58 PolarHBondContact O-N 2.82Å; T46-S58 WeakPolarHBondContact OG1-CB 3.37Å; T46-S58 PolarHBondContact OG1-O 2.69Å; T46-S59 VanDerWaalsContact CG2-O 3.23Å; T46-S59 WeakPolarHBondContact CG2-O 3.05Å; T46-S59 PolarHBondContact OG1-N 2.66Å; T46-S59 PolarHBondContact OG1-O 2.88Å; T46-M60 HydrophobicContact CG2-CG 3.47Å; T46-M60 VanDerWaalsContact CG2-CG 3.47Å; T46-I66 HydrophobicContact CG2-CD1 4.48Å |
| 47 | A | 98.2 | Very high | 95 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 141.1 | 158.3 | 0 | 0 | 0 | 0 | 0 | 106.9 | A37 Y38 F40 W55 K56 L273 L274 | A37-A47 CarbonylContact C-O 3.59Å; A37-A47 WeakPolarHBondContact CA-O 3.42Å; Y38-A47 PolarHBondContact N-O 2.65Å; Y38-A47 PolarHBondContact O-N 2.64Å; F40-A47 HydrophobicContact CE2-CB 3.82Å; F40-A47 HydrophobicContact CZ-CB 3.81Å; A47-W55 HydrophobicContact CB-CE3 3.78Å; A47-W55 HydrophobicContact CB-CZ3 4.23Å; A47-K56 CarbonylContact C-O 3.57Å; A47-K56 VanDerWaalsContact CA-O 3.23Å; A47-K56 WeakPolarHBondContact CA-O 3.22Å; A47-L273 HydrophobicContact CB-CD2 3.98Å; A47-L273 HydrophobicContact CB-CG 4.32Å; A47-L274 HydrophobicContact CB-CD1 3.54Å; A47-L274 HydrophobicContact CB-CG 4.31Å |
| 48 | F | 98.4 | Very high | 94.9 | Very high | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.009 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 159.5 | 170.8 | 85.3 | -72.1 | 0 | 0 | 0 | 111.5 | D27 M35 V36 A37 A50 I53 W55 K56 P65 | D27-F48 HydrophobicContact CB-CE1 4.19Å; D27-F48 HydrophobicContact CB-CZ 4.02Å; D27-F48 WeakPolarHBondContact OD1-CE1 2.86Å; D27-F48 WeakPolarHBondContact OD2-CE1 3.35Å; M35-F48 HydrophobicContact CG-CD2 4.18Å; V36-F48 CarbonylContact O-C 3.44Å; V36-F48 WeakPolarHBondContact O-CA 3.25Å; V36-F48 WeakPolarHBondContact O-CB 3.36Å; A37-F48 HydrophobicContact CB-CB 4.04Å; F48-A50 HydrophobicContact CE2-CB 4.4Å; F48-I53 HydrophobicContact CE2-CD1 4.44Å; F48-I53 HydrophobicContact CE2-CG2 4.09Å; F48-I53 HydrophobicContact CZ-CG2 4.1Å; F48-W55 CarbonylContact O-C 3.53Å; F48-W55 WeakPolarHBondContact O-CA 3.28Å; F48-K56 HydrophobicContact CD1-CB 4.35Å; F48-K56 HydrophobicContact CE1-CB 3.89Å; F48-K56 HydrophobicContact CE1-CD 4Å; F48-K56 HydrophobicContact CE1-CG 4.23Å; F48-K56 HydrophobicContact CZ-CD 4.36Å; F48-K56 PolarHBondContact N-O 2.74Å; F48-K56 PolarHBondContact O-N 2.8Å; F48-P65 HydrophobicContact CB-CG 4.31Å; F48-P65 HydrophobicContact CD1-CG 3.9Å; F48-P65 HydrophobicContact CD2-CB 4.35Å; F48-P65 HydrophobicContact CD2-CG 3.92Å; F48-P65 HydrophobicContact CE1-CG 4.21Å; F48-P65 HydrophobicContact CE2-CG 4.22Å; F48-P65 HydrophobicContact CG-CB 4.41Å; F48-P65 HydrophobicContact CG-CG 3.75Å; F48-P65 HydrophobicContact CZ-CG 4.35Å |
| 49 | M | 98.5 | Very high | 94.8 | Very high | 4 Ų | 4 | 47.3 Ų | 47.3 | 2% | 0.02 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 155.5 | 170.8 | 63.4 | 175.5 | -62.2 | 0 | 0 | 110.1 | W34 V36 I53 W55 E321 I322 A325 F326 | W34-M49 HydrophobicContact CH2-CE 4.02Å; W34-M49 HydrophobicContact CZ3-CE 4.25Å; W34-M49 HydrophobicContact CZ3-CG 4.27Å; V36-M49 HydrophobicContact CB-CG 4Å; V36-M49 PolarHBondContact N-O 3.47Å; V36-M49 PolarHBondContact O-N 2.94Å; M49-I53 WeakPolarHBondContact CA-O 3.48Å; M49-I53 WeakPolarHBondContact CB-O 3.47Å; M49-W55 HydrophobicContact CB-CD2 4.19Å; M49-W55 HydrophobicContact CB-CE3 4.01Å; M49-W55 HydrophobicContact CB-CZ3 4.34Å; M49-W55 HydrophobicContact CG-CD2 4.21Å; M49-W55 HydrophobicContact CG-CE3 4.02Å; M49-W55 HydrophobicContact CG-CH2 3.97Å; M49-W55 HydrophobicContact CG-CZ2 4.17Å; M49-W55 HydrophobicContact CG-CZ3 3.9Å; M49-W55 HydrophobicContact SD-CD2 4.12Å; M49-W55 HydrophobicContact SD-CE3 4.47Å; M49-W55 HydrophobicContact SD-CH2 4.01Å; M49-W55 HydrophobicContact SD-CZ2 3.61Å; M49-W55 HydrophobicContact SD-CZ3 4.42Å; M49-E321 HydrophobicContact CE-CB 4.38Å; M49-I322 HydrophobicContact CE-CG1 4.21Å; M49-A325 HydrophobicContact CE-CB 3.69Å; M49-A325 HydrophobicContact SD-CB 3.6Å; M49-A325 VanDerWaalsContact SD-CB 3.6Å; M49-F326 HydrophobicContact SD-CE2 4.46Å |
| 50 | A | 97.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 171 | -172.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | Y26 W34 F48 R52 I53 | Y26-A50 HydrophobicContact CD1-CB 3.56Å; Y26-A50 HydrophobicContact CE1-CB 3.31Å; Y26-A50 HydrophobicContact CE2-CB 4.38Å; Y26-A50 HydrophobicContact CG-CB 4.23Å; W34-A50 VanDerWaalsContact CZ3-CA 3.4Å; F48-A50 HydrophobicContact CE2-CB 4.4Å; A50-R52 PolarHBondContact O-N 2.84Å; A50-R52 VanDerWaalsContact O-N 3.13Å; A50-I53 HydrophobicContact CB-CB 4.08Å; A50-I53 HydrophobicContact CB-CD1 4.05Å; A50-I53 HydrophobicContact CB-CG1 4.43Å; A50-I53 PolarHBondContact N-O 3.01Å; A50-I53 VanDerWaalsContact N-O 3.12Å; A50-I53 CarbonylContact O-C 3.57Å; A50-I53 WeakPolarHBondContact O-CA 3.21Å; A50-I53 PolarHBondContact O-N 2.97Å |
| 51 | P | 96.4 | Very high | 94.7 | Very high | 30 Ų | 30 | 51 Ų | 51 | 20% | 0.195 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -47.4 | 121.3 | 175.3 | -25.4 | 28.3 | 0 | 0 | 0 | 112.7 | Y26 W34 I53 | Y26-P51 VanDerWaalsContact OH-CD 3.31Å; Y26-P51 WeakPolarHBondContact OH-CD 3.45Å; W34-P51 HydrophobicContact CD2-CG 4.23Å; W34-P51 HydrophobicContact CG-CG 4.41Å; W34-P51 HydrophobicContact CZ2-CB 4.39Å; W34-P51 HydrophobicContact CZ2-CG 3.99Å; W34-P51 VanDerWaalsContact O-CD 3.29Å; W34-P51 WeakPolarHBondContact O-CD 3.28Å; P51-I53 PolarHBondContact O-N 2.92Å |
| 52 | R | 95 | Very high | 94.9 | Very high | 233 Ų | 233 | 51.8 Ų | 51.8 | 88% | 0.879 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.1 | 11.3 | -178.1 | -53 | 174.2 | -74.5 | -172.8 | -3.8 | 114.7 | A50 E321 | A50-R52 PolarHBondContact O-N 2.84Å; A50-R52 VanDerWaalsContact O-N 3.13Å; R52-E321 WeakPolarHBondContact CA-OE2 3.44Å; R52-E321 PolarHBondContact N-OE2 3.14Å |
| 53 | I | 96.7 | Very high | 95.4 | Very high | 44 Ų | 44 | 51.4 Ų | 51.4 | 23% | 0.226 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 104.9 | 176.4 | -59.1 | 175.2 | 0 | 0 | 0 | 107.7 | Y26 F48 M49 A50 P51 | Y26-I53 HydrophobicContact CD2-CD1 4.05Å; Y26-I53 HydrophobicContact CG-CD1 4.26Å; F48-I53 HydrophobicContact CE2-CD1 4.44Å; F48-I53 HydrophobicContact CE2-CG2 4.09Å; F48-I53 HydrophobicContact CZ-CG2 4.1Å; M49-I53 WeakPolarHBondContact CA-O 3.48Å; M49-I53 WeakPolarHBondContact CB-O 3.47Å; A50-I53 HydrophobicContact CB-CB 4.08Å; A50-I53 HydrophobicContact CB-CD1 4.05Å; A50-I53 HydrophobicContact CB-CG1 4.43Å; A50-I53 PolarHBondContact N-O 3.01Å; A50-I53 VanDerWaalsContact N-O 3.12Å; A50-I53 CarbonylContact O-C 3.57Å; A50-I53 WeakPolarHBondContact O-CA 3.21Å; A50-I53 PolarHBondContact O-N 2.97Å; P51-I53 PolarHBondContact O-N 2.92Å |
| 54 | S | 96.5 | Very high | 96.2 | Very high | 101 Ų | 101 | 48.6 Ų | 48.6 | 71% | 0.706 | 26% | 0.257 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 167.1 | 169 | -66.9 | 0 | 0 | 0 | 0 | 110.9 | K56 | S54-K56 PolarHBondContact O-N 2.9Å; S54-K56 VanDerWaalsContact O-N 3.11Å |
| 55 | W | 98.3 | Very high | 97 | Very high | 42 Ų | 42 | 45.4 Ų | 45.4 | 16% | 0.159 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -44.3 | 121.5 | 178.5 | -72.1 | 120.3 | 0 | 0 | 0 | 112.3 | V36 A47 F48 M49 L273 L274 F326 | V36-W55 HydrophobicContact CG1-CH2 4.01Å; A47-W55 HydrophobicContact CB-CE3 3.78Å; A47-W55 HydrophobicContact CB-CZ3 4.23Å; F48-W55 CarbonylContact O-C 3.53Å; F48-W55 WeakPolarHBondContact O-CA 3.28Å; M49-W55 HydrophobicContact CB-CD2 4.19Å; M49-W55 HydrophobicContact CB-CE3 4.01Å; M49-W55 HydrophobicContact CB-CZ3 4.34Å; M49-W55 HydrophobicContact CG-CD2 4.21Å; M49-W55 HydrophobicContact CG-CE3 4.02Å; M49-W55 HydrophobicContact CG-CH2 3.97Å; M49-W55 HydrophobicContact CG-CZ2 4.17Å; M49-W55 HydrophobicContact CG-CZ3 3.9Å; M49-W55 HydrophobicContact SD-CD2 4.12Å; M49-W55 HydrophobicContact SD-CE3 4.47Å; M49-W55 HydrophobicContact SD-CH2 4.01Å; M49-W55 HydrophobicContact SD-CZ2 3.61Å; M49-W55 HydrophobicContact SD-CZ3 4.42Å; W55-L273 HydrophobicContact CB-CD1 3.95Å; W55-L273 HydrophobicContact CD2-CD1 3.71Å; W55-L273 HydrophobicContact CE3-CD1 4.41Å; W55-L273 HydrophobicContact CG-CD1 3.48Å; W55-L273 VanDerWaalsContact CG-CD1 3.48Å; W55-L274 HydrophobicContact CB-CD2 3.94Å; W55-L274 HydrophobicContact CB-CG 4.29Å; W55-L274 WeakPolarHBondContact O-CD2 3.09Å; W55-F326 AromaticContact CH2-CE2 3.98Å; W55-F326 HydrophobicContact CH2-CE2 3.98Å; W55-F326 AromaticContact CH2-CZ 3.95Å; W55-F326 HydrophobicContact CH2-CZ 3.95Å; W55-F326 HydrophobicContact CZ2-CD2 4.26Å; W55-F326 AromaticContact CZ2-CE2 3.59Å; W55-F326 HydrophobicContact CZ2-CE2 3.59Å; W55-F326 AromaticContact CZ2-CZ 3.78Å; W55-F326 HydrophobicContact CZ2-CZ 3.78Å |
| 56 | K | 97.4 | Very high | 97.1 | Very high | 105 Ų | 105 | 44 Ų | 44 | 46% | 0.457 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 141 | 178.7 | -175.4 | -175.3 | 171.1 | -140.2 | 0 | 109.6 | D27 A47 F48 S54 | D27-K56 IonicContact OD2-NZ 3.85Å; D27-K56 PolarHBondContact OD2-NZ 2.9Å; A47-K56 CarbonylContact C-O 3.57Å; A47-K56 VanDerWaalsContact CA-O 3.23Å; A47-K56 WeakPolarHBondContact CA-O 3.22Å; F48-K56 HydrophobicContact CD1-CB 4.35Å; F48-K56 HydrophobicContact CE1-CB 3.89Å; F48-K56 HydrophobicContact CE1-CD 4Å; F48-K56 HydrophobicContact CE1-CG 4.23Å; F48-K56 HydrophobicContact CZ-CD 4.36Å; F48-K56 PolarHBondContact N-O 2.74Å; F48-K56 PolarHBondContact O-N 2.8Å; S54-K56 PolarHBondContact O-N 2.9Å; S54-K56 VanDerWaalsContact O-N 3.11Å |
| 57 | S | 97.5 | Very high | 97.2 | Very high | 81 Ų | 81 | 44 Ų | 44 | 57% | 0.566 | 23% | 0.232 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 139.7 | 175 | -56.9 | 0 | 0 | 0 | 0 | 110.9 | T46 | T46-S57 WeakPolarHBondContact O-CA 3.36Å |
| 58 | S | 97.1 | Very high | 97.1 | Very high | 23 Ų | 23 | 48 Ų | 48 | 16% | 0.161 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | -164.4 | 175 | -170.9 | 0 | 0 | 0 | 0 | 109.5 | D27 T46 P65 | D27-S58 WeakPolarHBondContact OD1-CB 3.43Å; D27-S58 PolarHBondContact OD1-OG 3.16Å; T46-S58 PolarHBondContact N-O 2.82Å; T46-S58 PolarHBondContact O-N 2.82Å; T46-S58 WeakPolarHBondContact OG1-CB 3.37Å; T46-S58 PolarHBondContact OG1-O 2.69Å; S58-P65 WeakPolarHBondContact OG-CD 3.42Å |
| 59 | S | 95.5 | Very high | 97.1 | Very high | 32 Ų | 32 | 47.9 Ų | 47.9 | 22% | 0.224 | 25% | 0.247 | C | C | . | . | trans | -128.9 | -171.6 | -176.6 | 73.4 | 0 | 0 | 0 | 0 | 111.6 | T46 E61 S64 | T46-S59 VanDerWaalsContact CG2-O 3.23Å; T46-S59 WeakPolarHBondContact CG2-O 3.05Å; T46-S59 PolarHBondContact OG1-N 2.66Å; T46-S59 PolarHBondContact OG1-O 2.88Å; S59-E61 WeakPolarHBondContact OG-CG 3.44Å; S59-E61 PolarHBondContact OG-N 3.04Å; S59-S64 VanDerWaalsContact O-CB 3.32Å; S59-S64 WeakPolarHBondContact O-CB 3.22Å | ||
| 60 | M | 95.3 | Very high | 97.1 | Very high | 4 Ų | 4 | 47.8 Ų | 47.8 | 2% | 0.02 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -109.7 | 13 | 168.1 | -62.7 | -178 | 79.9 | 0 | 0 | 112.2 | K39 E44 T46 F128 Y140 K142 P143 | K39-M60 HydrophobicContact CB-SD 4.49Å; K39-M60 HydrophobicContact CD-CE 4Å; K39-M60 HydrophobicContact CD-SD 3.67Å; K39-M60 HydrophobicContact CG-CE 4.37Å; K39-M60 HydrophobicContact CG-SD 3.67Å; E44-M60 HydrophobicContact CB-CG 4.49Å; E44-M60 HydrophobicContact CB-SD 4.2Å; E44-M60 WeakPolarHBondContact O-CG 3.41Å; E44-M60 PolarHBondContact O-N 3.06Å; T46-M60 HydrophobicContact CG2-CG 3.47Å; T46-M60 VanDerWaalsContact CG2-CG 3.47Å; M60-F128 HydrophobicContact CE-CE1 4.25Å; M60-F128 HydrophobicContact CE-CZ 4.24Å; M60-Y140 VanDerWaalsContact O-CE1 3.28Å; M60-Y140 WeakPolarHBondContact O-CE1 3.46Å; M60-Y140 PolarHBondContact O-OH 3.04Å; M60-K142 HydrophobicContact CB-CD 4.36Å; M60-K142 HydrophobicContact CB-CG 4.33Å; M60-K142 WeakPolarHBondContact O-CG 3.45Å; M60-P143 HydrophobicContact CE-CB 4.26Å; M60-P143 HydrophobicContact CE-CG 3.47Å; M60-P143 VanDerWaalsContact CE-CG 3.47Å |
| 61 | E | 96.3 | Very high | 97.1 | Very high | 85 Ų | 85 | 48.9 Ų | 48.9 | 40% | 0.397 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -68.6 | 167.6 | -179.5 | -57.9 | -53.1 | 152.4 | 0 | 0 | 111.9 | S59 D63 S64 K142 | S59-E61 WeakPolarHBondContact OG-CG 3.44Å; S59-E61 PolarHBondContact OG-N 3.04Å; E61-D63 VanDerWaalsContact CB-OD1 3.25Å; E61-D63 WeakPolarHBondContact CB-OD1 3.46Å; E61-D63 PolarHBondContact O-N 2.79Å; E61-S64 WeakPolarHBondContact O-CB 3.41Å; E61-S64 PolarHBondContact O-N 2.75Å; E61-S64 PolarHBondContact O-OG 2.85Å; E61-K142 WeakPolarHBondContact OE1-CE 3.27Å; E61-K142 IonicContact OE1-NZ 2.75Å; E61-K142 PolarHBondContact OE1-NZ 3.42Å; E61-K142 WeakPolarHBondContact OE2-CE 3.35Å; E61-K142 IonicContact OE2-NZ 3.28Å; E61-K142 PolarHBondContact OE2-NZ 2.98Å |
| 62 | A | 96.9 | Very high | 97.1 | Very high | 40 Ų | 40 | 48.2 Ų | 48.2 | 33% | 0.331 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -29.1 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | S64 G67 R68 Y140 | A62-S64 VanDerWaalsContact C-N 3.34Å; A62-G67 CarbonylContact O-C 3.56Å; A62-G67 VanDerWaalsContact O-CA 3.31Å; A62-G67 WeakPolarHBondContact O-CA 3.36Å; A62-R68 PolarHBondContact O-N 3.45Å; A62-R68 VanDerWaalsContact O-N 3.09Å; A62-Y140 HydrophobicContact CB-CD1 3.67Å; A62-Y140 HydrophobicContact CB-CE1 4.34Å; A62-Y140 HydrophobicContact CB-CG 4.11Å |
| 63 | D | 96.4 | Very high | 97.1 | Very high | 95 Ų | 95 | 37.1 Ų | 37.1 | 51% | 0.508 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 6.2 | 178.2 | 74.5 | -27.3 | 0 | 0 | 0 | 113.6 | E61 R68 | E61-D63 VanDerWaalsContact CB-OD1 3.25Å; E61-D63 WeakPolarHBondContact CB-OD1 3.46Å; E61-D63 PolarHBondContact O-N 2.79Å; D63-R68 VanDerWaalsContact O-CZ 3.26Å; D63-R68 PolarHBondContact O-NE 3.05Å; D63-R68 PolarHBondContact O-NH2 3.23Å |
| 64 | S | 97.4 | Very high | 97.1 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.007 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -78 | 169.5 | 172.4 | 76 | 0 | 0 | 0 | 0 | 112.1 | S59 E61 A62 I66 G67 R68 | S59-S64 VanDerWaalsContact O-CB 3.32Å; S59-S64 WeakPolarHBondContact O-CB 3.22Å; E61-S64 WeakPolarHBondContact O-CB 3.41Å; E61-S64 PolarHBondContact O-N 2.75Å; E61-S64 PolarHBondContact O-OG 2.85Å; A62-S64 VanDerWaalsContact C-N 3.34Å; S64-I66 PolarHBondContact O-N 3.16Å; S64-I66 PolarHBondContact OG-N 3.22Å; S64-G67 PolarHBondContact O-N 3.41Å; S64-G67 PolarHBondContact OG-N 2.9Å; S64-R68 WeakPolarHBondContact O-CB 3.47Å; S64-R68 VanDerWaalsContact O-CG 3.3Å; S64-R68 WeakPolarHBondContact O-CG 3.35Å; S64-R68 PolarHBondContact O-N 2.81Å |
| 65 | P | 98.3 | Very high | 96.9 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.006 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -55.8 | -38.6 | 174.7 | -27.4 | 37.2 | 0 | 0 | 0 | 112.6 | K25 D27 M35 F48 S58 T69 | K25-P65 WeakPolarHBondContact O-CB 3.41Å; D27-P65 WeakPolarHBondContact OD1-CD 3.39Å; D27-P65 WeakPolarHBondContact OD1-CG 3.22Å; M35-P65 HydrophobicContact CE-CB 3.72Å; M35-P65 HydrophobicContact CG-CB 4.37Å; M35-P65 HydrophobicContact SD-CB 4.15Å; F48-P65 HydrophobicContact CB-CG 4.31Å; F48-P65 HydrophobicContact CD1-CG 3.9Å; F48-P65 HydrophobicContact CD2-CB 4.35Å; F48-P65 HydrophobicContact CD2-CG 3.92Å; F48-P65 HydrophobicContact CE1-CG 4.21Å; F48-P65 HydrophobicContact CE2-CG 4.22Å; F48-P65 HydrophobicContact CG-CB 4.41Å; F48-P65 HydrophobicContact CG-CG 3.75Å; F48-P65 HydrophobicContact CZ-CG 4.35Å; S58-P65 WeakPolarHBondContact OG-CD 3.42Å; P65-T69 VanDerWaalsContact O-CB 3.23Å; P65-T69 WeakPolarHBondContact O-CB 3.15Å; P65-T69 PolarHBondContact O-N 3.4Å; P65-T69 VanDerWaalsContact O-N 3.15Å; P65-T69 PolarHBondContact O-OG1 3.13Å |
| 66 | I | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67.6 | -51.6 | 177.4 | -65 | 172 | 0 | 0 | 0 | 109.9 | A37 T46 S64 T69 L70 F128 F131 F152 | A37-I66 HydrophobicContact CB-CD1 3.91Å; A37-I66 HydrophobicContact CB-CG1 3.86Å; T46-I66 HydrophobicContact CG2-CD1 4.48Å; S64-I66 PolarHBondContact O-N 3.16Å; S64-I66 PolarHBondContact OG-N 3.22Å; I66-T69 PolarHBondContact O-N 3.36Å; I66-L70 HydrophobicContact CG2-CD1 4.41Å; I66-L70 PolarHBondContact O-N 3.35Å; I66-F128 HydrophobicContact CD1-CE2 4.02Å; I66-F128 HydrophobicContact CD1-CZ 4.18Å; I66-F131 HydrophobicContact CG2-CZ 3.76Å; I66-F152 HydrophobicContact CD1-CB 4.07Å; I66-F152 HydrophobicContact CD1-CG 4.38Å; I66-F152 HydrophobicContact CG1-CB 4.13Å; I66-F152 HydrophobicContact CG1-CD1 4.1Å; I66-F152 HydrophobicContact CG1-CD2 4.32Å; I66-F152 HydrophobicContact CG1-CG 3.96Å; I66-F152 HydrophobicContact CG2-CD2 4.04Å; I66-F152 HydrophobicContact CG2-CE2 3.98Å; I66-F152 HydrophobicContact CG2-CZ 4.43Å |
| 67 | G | 98 | Very high | 96 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.4 | -53.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A62 S64 T69 L70 N71 Y140 | A62-G67 CarbonylContact O-C 3.56Å; A62-G67 VanDerWaalsContact O-CA 3.31Å; A62-G67 WeakPolarHBondContact O-CA 3.36Å; S64-G67 PolarHBondContact O-N 3.41Å; S64-G67 PolarHBondContact OG-N 2.9Å; G67-T69 PolarHBondContact O-N 2.9Å; G67-L70 PolarHBondContact O-N 3.46Å; G67-L70 VanDerWaalsContact O-N 3.12Å; G67-N71 VanDerWaalsContact O-CB 3.3Å; G67-N71 WeakPolarHBondContact O-CB 3.45Å; G67-N71 PolarHBondContact O-N 3.29Å; G67-N71 PolarHBondContact O-OD1 2.91Å; G67-Y140 VanDerWaalsContact CA-CE2 3.44Å |
| 68 | R | 98 | Very high | 95.2 | Very high | 85 Ų | 85 | 31.9 Ų | 31.9 | 32% | 0.321 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -57.2 | -36.6 | 177.2 | -67.7 | -177.2 | -168.9 | -75.5 | -0.3 | 112.9 | K25 Y26 D27 A62 D63 S64 Q72 | K25-R68 HydrophobicContact CB-CB 3.59Å; K25-R68 HydrophobicContact CG-CB 4.04Å; Y26-R68 WeakPolarHBondContact O-CD 3.12Å; D27-R68 PolarHBondContact O-NE 3.36Å; A62-R68 PolarHBondContact O-N 3.45Å; A62-R68 VanDerWaalsContact O-N 3.09Å; D63-R68 VanDerWaalsContact O-CZ 3.26Å; D63-R68 PolarHBondContact O-NE 3.05Å; D63-R68 PolarHBondContact O-NH2 3.23Å; S64-R68 WeakPolarHBondContact O-CB 3.47Å; S64-R68 VanDerWaalsContact O-CG 3.3Å; S64-R68 WeakPolarHBondContact O-CG 3.35Å; S64-R68 PolarHBondContact O-N 2.81Å; R68-Q72 PolarHBondContact O-N 2.91Å |
| 69 | T | 98.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.7 | -45.4 | 179 | -64.5 | 0 | 0 | 0 | 0 | 110.9 | K25 P65 I66 G67 Q72 M115 I122 I124 F152 C154 | K25-T69 PolarHBondContact N-OG1 3.17Å; P65-T69 VanDerWaalsContact O-CB 3.23Å; P65-T69 WeakPolarHBondContact O-CB 3.15Å; P65-T69 PolarHBondContact O-N 3.4Å; P65-T69 VanDerWaalsContact O-N 3.15Å; P65-T69 PolarHBondContact O-OG1 3.13Å; I66-T69 PolarHBondContact O-N 3.36Å; G67-T69 PolarHBondContact O-N 2.9Å; T69-Q72 PolarHBondContact O-NE2 3.32Å; T69-M115 WeakPolarHBondContact O-CE 3.46Å; T69-I122 HydrophobicContact CG2-CD1 3.36Å; T69-I124 HydrophobicContact CG2-CD1 4.11Å; T69-F152 HydrophobicContact CG2-CE1 4.3Å; T69-F152 HydrophobicContact CG2-CZ 4.18Å; T69-C154 HydrophobicContact CG2-CB 4.4Å |
| 70 | L | 98.2 | Very high | 92.8 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -73.8 | -35 | 178.4 | -69.9 | 170.5 | 0 | 0 | 0 | 112.9 | I66 G67 Q72 Y73 I74 M115 I124 F131 P132 L134 Y140 | I66-L70 HydrophobicContact CG2-CD1 4.41Å; I66-L70 PolarHBondContact O-N 3.35Å; G67-L70 PolarHBondContact O-N 3.46Å; G67-L70 VanDerWaalsContact O-N 3.12Å; L70-Q72 PolarHBondContact O-N 3.29Å; L70-Q72 VanDerWaalsContact O-N 3.14Å; L70-Y73 PolarHBondContact O-N 3.29Å; L70-I74 HydrophobicContact CB-CD1 3.98Å; L70-I74 PolarHBondContact O-N 2.79Å; L70-I74 VanDerWaalsContact O-N 3.14Å; L70-M115 HydrophobicContact CD2-CE 4.42Å; L70-I124 HydrophobicContact CD2-CD1 3.84Å; L70-F131 HydrophobicContact CD1-CE1 3.93Å; L70-F131 HydrophobicContact CD1-CE2 3.81Å; L70-F131 HydrophobicContact CD1-CZ 3.22Å; L70-P132 HydrophobicContact CD1-CB 3.77Å; L70-P132 HydrophobicContact CD1-CG 4.26Å; L70-P132 HydrophobicContact CD2-CB 4.28Å; L70-P132 HydrophobicContact CD2-CG 3.98Å; L70-L134 HydrophobicContact CD2-CD2 4.44Å; L70-Y140 HydrophobicContact CD1-CD2 4.46Å; L70-Y140 HydrophobicContact CD1-CE2 4.09Å |
| 71 | N | 97.1 | Very high | 91.6 | Very high | 23 Ų | 23 | 37.5 Ų | 37.5 | 12% | 0.123 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.1 | -18.2 | -179.8 | -81.5 | 22.1 | 0 | 0 | 0 | 114.1 | G67 Y73 I74 D75 Y140 | G67-N71 VanDerWaalsContact O-CB 3.3Å; G67-N71 WeakPolarHBondContact O-CB 3.45Å; G67-N71 PolarHBondContact O-N 3.29Å; G67-N71 PolarHBondContact O-OD1 2.91Å; N71-Y73 PolarHBondContact O-N 3.41Å; N71-Y73 VanDerWaalsContact O-N 3.11Å; N71-I74 PolarHBondContact O-N 3.02Å; N71-D75 WeakPolarHBondContact CB-OD2 3.46Å; N71-D75 PolarHBondContact ND2-OD2 3.03Å; N71-D75 VanDerWaalsContact O-CB 3.32Å; N71-D75 WeakPolarHBondContact O-CB 3.42Å; N71-D75 PolarHBondContact O-N 3.03Å; N71-Y140 WeakPolarHBondContact OD1-CB 3.16Å |
| 72 | Q | 96.1 | Very high | 90.4 | Very high | 16 Ų | 16 | 40.3 Ų | 40.3 | 8% | 0.075 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -54.9 | -27.2 | 168.2 | -71.1 | 173.4 | 111.1 | 0 | 0 | 113.2 | F22 E23 K25 R68 T69 L70 L76 | F22-Q72 HydrophobicContact CD1-CB 4.25Å; F22-Q72 HydrophobicContact CD2-CB 4.2Å; F22-Q72 HydrophobicContact CE1-CB 4.12Å; F22-Q72 WeakPolarHBondContact CE1-O 3.37Å; F22-Q72 HydrophobicContact CE2-CB 4.08Å; F22-Q72 HydrophobicContact CG-CB 4.29Å; F22-Q72 HydrophobicContact CZ-CB 4.04Å; F22-Q72 WeakPolarHBondContact CZ-O 3.06Å; E23-Q72 PolarHBondContact O-NE2 3.29Å; E23-Q72 PolarHBondContact O-OE1 2.68Å; K25-Q72 VanDerWaalsContact CE-OE1 3.31Å; K25-Q72 HydrophobicContact CG-CG 4.38Å; R68-Q72 PolarHBondContact O-N 2.91Å; T69-Q72 PolarHBondContact O-NE2 3.32Å; L70-Q72 PolarHBondContact O-N 3.29Å; L70-Q72 VanDerWaalsContact O-N 3.14Å; Q72-L76 VanDerWaalsContact O-CG 3.22Å; Q72-L76 WeakPolarHBondContact O-CG 3.22Å |
| 73 | Y | 95.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -103.4 | -42.5 | 171.2 | 171.8 | -101.6 | 0 | 0 | 0 | 113 | L70 N71 D75 L76 K87 V90 I92 M115 L134 K179 | L70-Y73 PolarHBondContact O-N 3.29Å; N71-Y73 PolarHBondContact O-N 3.41Å; N71-Y73 VanDerWaalsContact O-N 3.11Å; Y73-D75 VanDerWaalsContact C-N 3.28Å; Y73-D75 PolarHBondContact O-N 2.98Å; Y73-L76 HydrophobicContact CD2-CD1 4.38Å; Y73-L76 WeakPolarHBondContact O-CB 3.19Å; Y73-L76 PolarHBondContact O-N 3.46Å; Y73-K87 HydrophobicContact CE2-CB 4.2Å; Y73-K87 HydrophobicContact CE2-CD 4.5Å; Y73-K87 HydrophobicContact CE2-CG 4.08Å; Y73-K87 PolarHBondContact O-NZ 3.45Å; Y73-V90 HydrophobicContact CD2-CB 4.02Å; Y73-V90 HydrophobicContact CD2-CG1 4.03Å; Y73-V90 HydrophobicContact CD2-CG2 4.38Å; Y73-V90 HydrophobicContact CE2-CB 4.21Å; Y73-I92 HydrophobicContact CD1-CD1 4.23Å; Y73-I92 HydrophobicContact CD2-CD1 3.65Å; Y73-I92 HydrophobicContact CD2-CG1 4.09Å; Y73-I92 HydrophobicContact CE1-CD1 4.4Å; Y73-I92 HydrophobicContact CE1-CG1 4.31Å; Y73-I92 HydrophobicContact CE2-CD1 3.83Å; Y73-I92 HydrophobicContact CE2-CG1 3.71Å; Y73-I92 HydrophobicContact CG-CD1 3.85Å; Y73-M115 HydrophobicContact CG-SD 4.43Å; Y73-L134 HydrophobicContact CD1-CD2 3.93Å; Y73-L134 HydrophobicContact CE1-CB 4.16Å; Y73-L134 HydrophobicContact CE1-CD2 4.36Å; Y73-L134 WeakPolarHBondContact CE1-O 3.25Å; Y73-K179 WeakPolarHBondContact OH-CD 3.5Å |
| 74 | I | 95.7 | Very high | 88.2 | Confident | 12 Ų | 12 | 42.6 Ų | 42.6 | 6% | 0.062 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.7 | -41.2 | -174.6 | -62.5 | 171.9 | 0 | 0 | 0 | 110.5 | L70 N71 L76 K87 L134 A138 Y140 | L70-I74 HydrophobicContact CB-CD1 3.98Å; L70-I74 PolarHBondContact O-N 2.79Å; L70-I74 VanDerWaalsContact O-N 3.14Å; N71-I74 PolarHBondContact O-N 3.02Å; I74-L76 VanDerWaalsContact C-N 3.34Å; I74-L76 PolarHBondContact O-N 3.34Å; I74-K87 PolarHBondContact O-NZ 3.31Å; I74-L134 HydrophobicContact CD1-CD2 4.31Å; I74-L134 HydrophobicContact CG1-CD2 4.09Å; I74-A138 WeakPolarHBondContact CG2-O 3.07Å; I74-Y140 HydrophobicContact CD1-CD2 4.44Å |
| 75 | D | 93.8 | Very high | 87.4 | Confident | 115 Ų | 115 | 42.8 Ų | 42.8 | 62% | 0.615 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -3.3 | -175.8 | -61.1 | -12.6 | 0 | 0 | 0 | 113.8 | N71 Y73 | N71-D75 WeakPolarHBondContact CB-OD2 3.46Å; N71-D75 PolarHBondContact ND2-OD2 3.03Å; N71-D75 VanDerWaalsContact O-CB 3.32Å; N71-D75 WeakPolarHBondContact O-CB 3.42Å; N71-D75 PolarHBondContact O-N 3.03Å; Y73-D75 VanDerWaalsContact C-N 3.28Å; Y73-D75 PolarHBondContact O-N 2.98Å |
| 76 | L | 92 | Very high | 86.9 | Confident | 22 Ų | 22 | 45.1 Ų | 45.1 | 12% | 0.115 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -65.6 | 147.3 | 175.4 | -66.8 | -179.3 | 0 | 0 | 0 | 111.1 | F22 Q72 Y73 I74 A78 E86 K87 V90 | F22-L76 HydrophobicContact CZ-CD1 4.07Å; Q72-L76 VanDerWaalsContact O-CG 3.22Å; Q72-L76 WeakPolarHBondContact O-CG 3.22Å; Y73-L76 HydrophobicContact CD2-CD1 4.38Å; Y73-L76 WeakPolarHBondContact O-CB 3.19Å; Y73-L76 PolarHBondContact O-N 3.46Å; I74-L76 VanDerWaalsContact C-N 3.34Å; I74-L76 PolarHBondContact O-N 3.34Å; L76-A78 PolarHBondContact O-N 3.47Å; L76-E86 HydrophobicContact CB-CB 3.99Å; L76-E86 HydrophobicContact CD1-CB 4.29Å; L76-E86 HydrophobicContact CD2-CB 4.05Å; L76-E86 HydrophobicContact CG-CB 4.33Å; L76-K87 HydrophobicContact CB-CG 3.65Å; L76-K87 WeakPolarHBondContact O-CE 3.48Å; L76-V90 HydrophobicContact CD1-CG2 3.71Å |
| 77 | S | 84.4 | Confident | 86.4 | Confident | 58 Ų | 58 | 45.3 Ų | 45.3 | 41% | 0.406 | 28% | 0.284 | S | S | . | . | trans | -64.8 | 130 | 175.9 | -175.4 | 0 | 0 | 0 | 0 | 111.4 | S79 S85 E86 K87 | S77-S79 PolarHBondContact OG-N 2.85Å; S77-S79 PolarHBondContact OG-O 2.84Å; S77-S85 WeakPolarHBondContact O-CB 3.5Å; S77-S85 PolarHBondContact O-OG 2.88Å; S77-E86 PolarHBondContact O-N 2.89Å; S77-K87 PolarHBondContact O-N 3.14Å | ||
| 78 | A | 80.8 | Confident | 86 | Confident | 56 Ų | 56 | 48 Ų | 48 | 46% | 0.463 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -77.5 | -23.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L76 S85 K87 | L76-A78 PolarHBondContact O-N 3.47Å; A78-S85 VanDerWaalsContact C-CB 3.44Å; A78-S85 WeakPolarHBondContact O-CB 3.5Å; A78-S85 PolarHBondContact O-OG 3.43Å; A78-S85 VanDerWaalsContact O-OG 3.07Å; A78-K87 HydrophobicContact CB-CD 4.03Å |
| 79 | S | 76.2 | Confident | 85.5 | Confident | 90 Ų | 90 | 44.4 Ų | 44.4 | 63% | 0.629 | 29% | 0.285 | S | S | * | . | trans | -112.9 | 127.3 | 179.6 | -178.2 | 0 | 0 | 0 | 0 | 111 | S77 | S77-S79 PolarHBondContact OG-N 2.85Å; S77-S79 PolarHBondContact OG-O 2.84Å | ||
| 80 | G | 66.1 | Low | 85.2 | Confident | 28 Ų | 28 | 44.6 Ų | 44.6 | 29% | 0.289 | 29% | 0.286 | S | S | . | . | trans | -104.6 | 5.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | V83 | G80-V83 CarbonylContact C-O 3.6Å; G80-V83 WeakPolarHBondContact CA-O 3.09Å; G80-V83 WeakPolarHBondContact O-CA 3.43Å; G80-V83 WeakPolarHBondContact O-CB 3.15Å; G80-V83 PolarHBondContact O-N 3.09Å; G80-V83 VanDerWaalsContact O-O 3.08Å | ||
| 81 | G | 69.2 | Low | 84.9 | Confident | 60 Ų | 60 | 44.5 Ų | 44.5 | 62% | 0.619 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.5 | -126.4 | -170.8 | 0 | 0 | 0 | 0 | 0 | 111 | V83 | G81-V83 PolarHBondContact O-N 3.19Š|
| 82 | P | 72.1 | Confident | 84.8 | Confident | 143 Ų | 143 | 43.4 Ų | 43.4 | 93% | 0.929 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -9.5 | 174.9 | 31.7 | -34.2 | 0 | 0 | 0 | 113.5 | ||
| 83 | V | 71.8 | Confident | 84.8 | Confident | 104 Ų | 104 | 42.7 Ų | 42.7 | 63% | 0.63 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -101.1 | 155.5 | 178.1 | -173.7 | 0 | 0 | 0 | 0 | 109 | G80 G81 | G80-V83 CarbonylContact C-O 3.6Å; G80-V83 WeakPolarHBondContact CA-O 3.09Å; G80-V83 WeakPolarHBondContact O-CA 3.43Å; G80-V83 WeakPolarHBondContact O-CB 3.15Å; G80-V83 PolarHBondContact O-N 3.09Å; G80-V83 VanDerWaalsContact O-O 3.08Å; G81-V83 PolarHBondContact O-N 3.19Å |
| 84 | M | 74.4 | Confident | 85 | Confident | 79 Ų | 79 | 42.7 Ų | 42.7 | 39% | 0.389 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 135.9 | 169.6 | -176.2 | -175.7 | -62.6 | 0 | 0 | 110.5 | E88 A89 T182 | M84-E88 HydrophobicContact CG-CB 3.7Å; M84-A89 HydrophobicContact SD-CB 4.38Å; M84-T182 VanDerWaalsContact SD-O 3.35Å |
| 85 | S | 82.2 | Confident | 85 | Confident | 6 Ų | 6 | 42.1 Ų | 42.1 | 4% | 0.042 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -71.2 | 159.1 | 176.6 | 85.6 | 0 | 0 | 0 | 0 | 111.4 | S77 A78 K87 E88 | S77-S85 WeakPolarHBondContact O-CB 3.5Å; S77-S85 PolarHBondContact O-OG 2.88Å; A78-S85 VanDerWaalsContact C-CB 3.44Å; A78-S85 WeakPolarHBondContact O-CB 3.5Å; A78-S85 PolarHBondContact O-OG 3.43Å; A78-S85 VanDerWaalsContact O-OG 3.07Å; S85-K87 VanDerWaalsContact C-N 3.34Å; S85-E88 WeakPolarHBondContact O-CB 3.45Å; S85-E88 PolarHBondContact O-N 2.66Å; S85-E88 WeakPolarHBondContact OG-CB 3.5Å; S85-E88 VanDerWaalsContact OG-CG 3.28Å; S85-E88 WeakPolarHBondContact OG-CG 3.24Å; S85-E88 PolarHBondContact OG-N 3.23Å |
| 86 | E | 86.1 | Confident | 85.2 | Confident | 50 Ų | 50 | 36.6 Ų | 36.6 | 23% | 0.234 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -38.2 | 179.2 | -66.8 | 174.9 | 162.3 | 0 | 0 | 111.3 | S16 L76 S77 E88 A89 | S16-E86 WeakPolarHBondContact CB-OE1 3.3Å; S16-E86 PolarHBondContact OG-OE1 3.29Å; L76-E86 HydrophobicContact CB-CB 3.99Å; L76-E86 HydrophobicContact CD1-CB 4.29Å; L76-E86 HydrophobicContact CD2-CB 4.05Å; L76-E86 HydrophobicContact CG-CB 4.33Å; S77-E86 PolarHBondContact O-N 2.89Å; E86-E88 VanDerWaalsContact C-N 3.28Å; E86-E88 PolarHBondContact O-N 3.24Å; E86-A89 PolarHBondContact O-N 3.08Å |
| 87 | K | 89.2 | Confident | 85.4 | Confident | 3 Ų | 3 | 35.7 Ų | 35.7 | 1% | 0.013 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -61.8 | -35.5 | 173.7 | -75.6 | -170.6 | -173.4 | -79.4 | 0 | 112.3 | Y73 I74 L76 S77 A78 S85 A89 V90 D136 K179 | Y73-K87 HydrophobicContact CE2-CB 4.2Å; Y73-K87 HydrophobicContact CE2-CD 4.5Å; Y73-K87 HydrophobicContact CE2-CG 4.08Å; Y73-K87 PolarHBondContact O-NZ 3.45Å; I74-K87 PolarHBondContact O-NZ 3.31Å; L76-K87 HydrophobicContact CB-CG 3.65Å; L76-K87 WeakPolarHBondContact O-CE 3.48Å; S77-K87 PolarHBondContact O-N 3.14Å; A78-K87 HydrophobicContact CB-CD 4.03Å; S85-K87 VanDerWaalsContact C-N 3.34Å; K87-A89 PolarHBondContact O-N 2.82Å; K87-V90 PolarHBondContact O-N 2.79Å; K87-V90 VanDerWaalsContact O-N 3.13Å; K87-D136 WeakPolarHBondContact CE-O 3.46Å; K87-K179 WeakPolarHBondContact O-CE 3.4Å |
| 88 | E | 88.5 | Confident | 86 | Confident | 56 Ų | 56 | 34.4 Ų | 34.4 | 26% | 0.262 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -65.2 | -26.2 | -179.7 | -81.3 | -44.2 | 116 | 0 | 0 | 113 | M84 S85 E86 V90 K179 P181 T182 | M84-E88 HydrophobicContact CG-CB 3.7Å; S85-E88 WeakPolarHBondContact O-CB 3.45Å; S85-E88 PolarHBondContact O-N 2.66Å; S85-E88 WeakPolarHBondContact OG-CB 3.5Å; S85-E88 VanDerWaalsContact OG-CG 3.28Å; S85-E88 WeakPolarHBondContact OG-CG 3.24Å; S85-E88 PolarHBondContact OG-N 3.23Å; E86-E88 VanDerWaalsContact C-N 3.28Å; E86-E88 PolarHBondContact O-N 3.24Å; E88-V90 VanDerWaalsContact C-N 3.28Å; E88-V90 PolarHBondContact O-N 2.03Å; E88-K179 WeakPolarHBondContact OE1-CE 3.03Å; E88-K179 IonicContact OE1-NZ 2.78Å; E88-K179 PolarHBondContact OE1-NZ 2.97Å; E88-P181 CarbonylContact O-C 3.11Å; E88-P181 WeakPolarHBondContact O-CA 3.29Å; E88-T182 WeakPolarHBondContact CB-OG1 3.4Å; E88-T182 PolarHBondContact O-N 3.31Å; E88-T182 PolarHBondContact O-OG1 2.79Å; E88-T182 VanDerWaalsContact OE2-CG2 3.32Å; E88-T182 WeakPolarHBondContact OE2-CG2 3.43Å |
| 89 | A | 87.6 | Confident | 86.8 | Confident | 11 Ų | 11 | 32.4 Ų | 32.4 | 9% | 0.091 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -76.9 | -12.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | M84 E86 K87 P181 | M84-A89 HydrophobicContact SD-CB 4.38Å; E86-A89 PolarHBondContact O-N 3.08Å; K87-A89 PolarHBondContact O-N 2.82Å; A89-P181 WeakPolarHBondContact O-CB 3.35Å |
| 90 | V | 91.3 | Very high | 87.8 | Confident | 3 Ų | 3 | 28.9 Ų | 28.9 | 2% | 0.018 | 18% | 0.184 | C | C | . | . | trans | -99.7 | 121.1 | -172.6 | -169.5 | 0 | 0 | 0 | 0 | 112.1 | F22 Y73 L76 K87 E88 I92 P117 | F22-V90 HydrophobicContact CE2-CG1 4.15Å; F22-V90 HydrophobicContact CZ-CG1 4.25Å; F22-V90 HydrophobicContact CZ-CG2 4.16Å; Y73-V90 HydrophobicContact CD2-CB 4.02Å; Y73-V90 HydrophobicContact CD2-CG1 4.03Å; Y73-V90 HydrophobicContact CD2-CG2 4.38Å; Y73-V90 HydrophobicContact CE2-CB 4.21Å; L76-V90 HydrophobicContact CD1-CG2 3.71Å; K87-V90 PolarHBondContact O-N 2.79Å; K87-V90 VanDerWaalsContact O-N 3.13Å; E88-V90 VanDerWaalsContact C-N 3.28Å; E88-V90 PolarHBondContact O-N 2.03Å; V90-I92 HydrophobicContact CG1-CD1 3.64Å; V90-I92 HydrophobicContact CG1-CG1 4.33Å; V90-P117 HydrophobicContact CG2-CB 4.22Å | ||
| 91 | G | 92.9 | Very high | 89 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 127.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | V116 K179 W188 | G91-V116 PolarHBondContact N-O 2.81Å; G91-V116 PolarHBondContact O-N 3.08Å; G91-K179 CarbonylContact C-O 3.59Å; G91-K179 WeakPolarHBondContact CA-O 3.02Å; G91-W188 VanDerWaalsContact CA-CZ3 3.41Å |
| 92 | I | 95.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 133.7 | 180 | -51.6 | -69.3 | 0 | 0 | 0 | 110.2 | Y73 V90 V113 L114 M115 L134 F177 L178 K179 | Y73-I92 HydrophobicContact CD1-CD1 4.23Å; Y73-I92 HydrophobicContact CD2-CD1 3.65Å; Y73-I92 HydrophobicContact CD2-CG1 4.09Å; Y73-I92 HydrophobicContact CE1-CD1 4.4Å; Y73-I92 HydrophobicContact CE1-CG1 4.31Å; Y73-I92 HydrophobicContact CE2-CD1 3.83Å; Y73-I92 HydrophobicContact CE2-CG1 3.71Å; Y73-I92 HydrophobicContact CG-CD1 3.85Å; V90-I92 HydrophobicContact CG1-CD1 3.64Å; V90-I92 HydrophobicContact CG1-CG1 4.33Å; I92-V113 HydrophobicContact CG2-CG1 4.49Å; I92-L114 WeakPolarHBondContact CA-O 3.36Å; I92-M115 HydrophobicContact CD1-CB 3.82Å; I92-M115 HydrophobicContact CD1-CG 3.61Å; I92-M115 HydrophobicContact CD1-SD 4.23Å; I92-L134 HydrophobicContact CG2-CD1 3.97Å; I92-F177 HydrophobicContact CB-CD1 4.17Å; I92-F177 HydrophobicContact CB-CE1 3.89Å; I92-F177 HydrophobicContact CG1-CE1 4.24Å; I92-F177 HydrophobicContact CG2-CD1 3.61Å; I92-F177 HydrophobicContact CG2-CE1 3.75Å; I92-L178 WeakPolarHBondContact O-CA 3.48Å; I92-K179 HydrophobicContact CB-CB 4.01Å; I92-K179 HydrophobicContact CG1-CB 4.23Å; I92-K179 PolarHBondContact N-O 2.71Å; I92-K179 PolarHBondContact O-N 3.13Å |
| 93 | I | 96.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 112.2 | 165.3 | -54.8 | 173.3 | 0 | 0 | 0 | 107.1 | V113 L114 F161 V165 I175 L178 W188 V193 L196 | I93-V113 CarbonylContact O-C 3.16Å; I93-V113 WeakPolarHBondContact O-CA 3.27Å; I93-L114 HydrophobicContact CB-CB 4.22Å; I93-L114 HydrophobicContact CB-CD1 4.35Å; I93-L114 HydrophobicContact CD1-CD1 4.36Å; I93-L114 PolarHBondContact N-O 2.75Å; I93-L114 PolarHBondContact O-N 3.37Å; I93-F161 HydrophobicContact CD1-CE2 4.06Å; I93-F161 HydrophobicContact CD1-CZ 3.78Å; I93-F161 HydrophobicContact CG1-CZ 4.48Å; I93-V165 HydrophobicContact CD1-CG1 4.21Å; I93-V165 HydrophobicContact CD1-CG2 3.63Å; I93-I175 HydrophobicContact CG2-CD1 4.17Å; I93-L178 HydrophobicContact CG1-CD1 4.39Å; I93-W188 HydrophobicContact CD1-CH2 4.03Å; I93-W188 HydrophobicContact CD1-CZ2 4.48Å; I93-W188 HydrophobicContact CG1-CH2 3.72Å; I93-W188 HydrophobicContact CG1-CZ2 4.35Å; I93-V193 HydrophobicContact CD1-CG2 3.99Å; I93-L196 HydrophobicContact CD1-CD2 4.39Å; I93-L196 HydrophobicContact CG2-CD2 3.68Å |
| 94 | A | 98 | Very high | 92.3 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 132.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | V113 L134 Y176 F177 | A94-V113 HydrophobicContact CB-CG1 4.31Å; A94-V113 HydrophobicContact CB-CG2 4.21Å; A94-L134 HydrophobicContact CB-CD1 3.76Å; A94-Y176 VanDerWaalsContact C-CE1 3.46Å; A94-Y176 HydrophobicContact CB-CD1 4.3Å; A94-Y176 HydrophobicContact CB-CE1 3.51Å; A94-Y176 HydrophobicContact CB-CE2 4.19Å; A94-Y176 VanDerWaalsContact CB-CZ 3.44Å; A94-Y176 WeakPolarHBondContact CB-OH 3.23Å; A94-Y176 WeakPolarHBondContact O-CD1 3.38Å; A94-Y176 PolarHBondContact O-N 2.83Å; A94-F177 HydrophobicContact CB-CB 4.12Å; A94-F177 PolarHBondContact N-O 2.81Å; A94-F177 PolarHBondContact O-N 3.11Å |
| 95 | Y | 97.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 136.7 | -175.6 | 59.3 | -82.7 | 0 | 0 | 0 | 110.4 | R111 G112 W123 L168 P173 L174 | Y95-R111 WeakPolarHBondContact CE2-O 3.42Å; Y95-R111 CarbonylContact O-C 3.49Å; Y95-R111 VanDerWaalsContact O-CA 3.28Å; Y95-R111 WeakPolarHBondContact O-CA 3.32Å; Y95-G112 VanDerWaalsContact CD1-O 3.26Å; Y95-G112 WeakPolarHBondContact CD1-O 3.12Å; Y95-G112 VanDerWaalsContact CE1-C 3.44Å; Y95-G112 VanDerWaalsContact CZ-CA 3.45Å; Y95-G112 PolarHBondContact N-O 3.23Å; Y95-G112 PolarHBondContact O-N 3.42Å; Y95-G112 VanDerWaalsContact O-O 3.1Å; Y95-W123 PolarHBondContact OH-NE1 2.76Å; Y95-L168 HydrophobicContact CD1-CD1 4.47Å; Y95-L168 HydrophobicContact CE1-CD1 3.81Å; Y95-L168 HydrophobicContact CE1-CD2 4.23Å; Y95-L168 HydrophobicContact CE2-CD2 4.21Å; Y95-P173 HydrophobicContact CD2-CB 3.56Å; Y95-P173 HydrophobicContact CD2-CG 3.74Å; Y95-P173 HydrophobicContact CE2-CB 4.38Å; Y95-P173 HydrophobicContact CE2-CG 4.39Å; Y95-P173 HydrophobicContact CG-CB 4.02Å; Y95-P173 HydrophobicContact CG-CG 3.87Å; Y95-L174 CarbonylContact C-O 3.54Å; Y95-L174 WeakPolarHBondContact CA-O 3.14Å; Y95-L174 WeakPolarHBondContact CB-O 3.27Å |
| 96 | N | 97.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.6 | 131.5 | -177.9 | -165.8 | -28.8 | 0 | 0 | 0 | 110.6 | H98 P99 G110 R111 H126 F128 F131 L174 Y176 | N96-H98 VanDerWaalsContact CG-O 3.31Å; N96-H98 PolarHBondContact ND2-O 2.88Å; N96-H98 PolarHBondContact O-N 2.84Å; N96-H98 VanDerWaalsContact O-N 3.11Å; N96-H98 PolarHBondContact OD1-N 3.5Å; N96-H98 PolarHBondContact OD1-O 2.94Å; N96-P99 WeakPolarHBondContact O-CD 3.49Å; N96-G110 CarbonylContact C-O 3.51Å; N96-G110 VanDerWaalsContact CA-O 3.29Å; N96-G110 WeakPolarHBondContact CA-O 3.41Å; N96-R111 WeakPolarHBondContact OD1-CG 3.38Å; N96-H126 PolarHBondContact ND2-CE1 2.96Å; N96-F128 PolarHBondContact ND2-O 3.28Å; N96-F128 VanDerWaalsContact ND2-O 3.09Å; N96-F131 PolarHBondContact ND2-O 3.15Å; N96-L174 PolarHBondContact N-O 2.92Å; N96-L174 WeakPolarHBondContact O-CD2 3.44Å; N96-Y176 HydrophobicContact CB-CD1 3.89Å; N96-Y176 HydrophobicContact CB-CE1 3.77Å |
| 97 | Q | 96.4 | Very high | 94 | Very high | 2 Ų | 2 | 30.2 Ų | 30.2 | 1% | 0.009 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -49 | -32.8 | 168.3 | -166.4 | -173.4 | 28.3 | 0 | 0 | 113.9 | M104 V105 A106 L108 G110 Y307 | Q97-M104 HydrophobicContact CG-CG 4.15Å; Q97-M104 CarbonylContact O-C 3.58Å; Q97-M104 WeakPolarHBondContact O-CA 3.37Å; Q97-V105 WeakPolarHBondContact CG-O 3.33Å; Q97-V105 PolarHBondContact O-N 3.05Å; Q97-A106 PolarHBondContact NE2-O 3.18Å; Q97-A106 VanDerWaalsContact NE2-O 3.17Å; Q97-L108 VanDerWaalsContact CA-O 3.27Å; Q97-L108 WeakPolarHBondContact CA-O 3.39Å; Q97-L108 VanDerWaalsContact CB-O 3.28Å; Q97-L108 WeakPolarHBondContact CB-O 3.42Å; Q97-L108 WeakPolarHBondContact CG-O 3.34Å; Q97-G110 PolarHBondContact N-O 2.87Å; Q97-Y307 PolarHBondContact NE2-OH 3.25Å; Q97-Y307 VanDerWaalsContact NE2-OH 3.11Å |
| 98 | H | 97.2 | Very high | 94.2 | Very high | 31 Ų | 31 | 32.6 Ų | 32.6 | 14% | 0.144 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -134.6 | 87.5 | 179.8 | -167.3 | 172.9 | 0 | 0 | 0 | 108.5 | N96 G102 M104 P129 Q130 | N96-H98 VanDerWaalsContact CG-O 3.31Å; N96-H98 PolarHBondContact ND2-O 2.88Å; N96-H98 PolarHBondContact O-N 2.84Å; N96-H98 VanDerWaalsContact O-N 3.11Å; N96-H98 PolarHBondContact OD1-N 3.5Å; N96-H98 PolarHBondContact OD1-O 2.94Å; H98-G102 PolarHBondContact CD2-O 3.11Å; H98-G102 VanDerWaalsContact CD2-O 3.29Å; H98-G102 PolarHBondContact NE2-O 3.21Å; H98-M104 HydrophobicContact CB-CB 4.17Å; H98-M104 HydrophobicContact CB-CG 4.25Å; H98-P129 HydrophobicContact CB-CB 4.24Å; H98-Q130 VanDerWaalsContact CD2-CG 3.46Å; H98-Q130 WeakPolarHBondContact CD2-CG 3.4Å; H98-Q130 VanDerWaalsContact NE2-CG 3.34Å; H98-Q130 WeakPolarHBondContact NE2-CG 3.11Å; H98-Q130 WeakPolarHBondContact O-CA 3.13Å; H98-Q130 PolarHBondContact O-N 2.93Å |
| 99 | P | 97.7 | Very high | 94.4 | Very high | 14 Ų | 14 | 30 Ų | 30 | 9% | 0.091 | 19% | 0.191 | C | C | . | . | trans | -60.1 | 157.6 | -179.9 | -24.1 | 35.9 | 0 | 0 | 0 | 112.6 | N96 S101 G102 L174 Y176 | N96-P99 WeakPolarHBondContact O-CD 3.49Å; P99-S101 PolarHBondContact O-N 2.95Å; P99-G102 PolarHBondContact O-N 2.87Å; P99-G102 VanDerWaalsContact O-N 3.15Å; P99-L174 HydrophobicContact CG-CD2 3.83Å; P99-Y176 HydrophobicContact CB-CD1 4.32Å; P99-Y176 HydrophobicContact CB-CD2 4.07Å; P99-Y176 HydrophobicContact CB-CG 3.76Å; P99-Y176 HydrophobicContact CG-CD1 4.46Å; P99-Y176 HydrophobicContact CG-CG 4.1Å | ||
| 100 | P | 96.7 | Very high | 94.8 | Very high | 16 Ų | 16 | 29.6 Ų | 29.6 | 10% | 0.104 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.5 | -54.4 | -177.9 | 20.1 | -34.2 | 0 | 0 | 0 | 113.6 | Q130 P132 N133 Y176 | P100-Q130 PolarHBondContact O-NE2 2.9Å; P100-P132 WeakPolarHBondContact CG-O 3.32Å; P100-N133 HydrophobicContact CB-CB 4.12Å; P100-N133 HydrophobicContact CG-CB 4.28Å; P100-Y176 HydrophobicContact CG-CD2 4.28Å; P100-Y176 HydrophobicContact CG-CE2 3.87Å |
| 101 | S | 91.2 | Very high | 95.1 | Very high | 103 Ų | 103 | 30.6 Ų | 30.6 | 72% | 0.72 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | 13.1 | 180 | -53.2 | 0 | 0 | 0 | 0 | 113.4 | P99 | P99-S101 PolarHBondContact O-N 2.95Š|
| 102 | G | 91.9 | Very high | 95.3 | Very high | 28 Ų | 28 | 30.6 Ų | 30.6 | 29% | 0.289 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -110.5 | 170.7 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | H98 P99 | H98-G102 PolarHBondContact CD2-O 3.11Å; H98-G102 VanDerWaalsContact CD2-O 3.29Å; H98-G102 PolarHBondContact NE2-O 3.21Å; P99-G102 PolarHBondContact O-N 2.87Å; P99-G102 VanDerWaalsContact O-N 3.15Å |
| 103 | V | 94.9 | Very high | 95.5 | Very high | 120 Ų | 120 | 30.7 Ų | 30.7 | 73% | 0.727 | 19% | 0.191 | S | C | * | . | trans | -85.8 | 154.2 | 170.1 | -62.9 | 0 | 0 | 0 | 0 | 111 | V105 | V103-V105 PolarHBondContact O-N 3.36Š| ||
| 104 | M | 96.1 | Very high | 95.5 | Very high | 107 Ų | 107 | 30.7 Ų | 30.7 | 53% | 0.527 | 19% | 0.191 | S | C | . | . | trans | -70.8 | 129.1 | 175.6 | -175.5 | 177.6 | 69.8 | 0 | 0 | 111.4 | Q97 H98 | Q97-M104 HydrophobicContact CG-CG 4.15Å; Q97-M104 CarbonylContact O-C 3.58Å; Q97-M104 WeakPolarHBondContact O-CA 3.37Å; H98-M104 HydrophobicContact CB-CB 4.17Å; H98-M104 HydrophobicContact CB-CG 4.25Å | ||
| 105 | V | 95.1 | Very high | 95.4 | Very high | 44 Ų | 44 | 30.7 Ų | 30.7 | 27% | 0.267 | 19% | 0.191 | S | C | . | . | trans | -107.7 | 95.4 | 173.5 | -176.4 | 0 | 0 | 0 | 0 | 109.3 | Q97 V103 S107 L108 L174 | Q97-V105 WeakPolarHBondContact CG-O 3.33Å; Q97-V105 PolarHBondContact O-N 3.05Å; V103-V105 PolarHBondContact O-N 3.36Å; V105-S107 PolarHBondContact O-N 2.61Å; V105-S107 VanDerWaalsContact O-N 3.12Å; V105-L108 HydrophobicContact CG1-CB 4.3Å; V105-L108 HydrophobicContact CG1-CD1 4.02Å; V105-L108 HydrophobicContact CG1-CG 4.04Å; V105-L108 PolarHBondContact O-N 3.22Å; V105-L108 VanDerWaalsContact O-N 3.15Å; V105-L174 HydrophobicContact CB-CD2 4.03Å; V105-L174 HydrophobicContact CG2-CD2 3.66Å | ||
| 106 | A | 91.2 | Very high | 95.1 | Very high | 45 Ų | 45 | 30.7 Ų | 30.7 | 37% | 0.372 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -33.1 | -169.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q97 L108 | Q97-A106 PolarHBondContact NE2-O 3.18Å; Q97-A106 VanDerWaalsContact NE2-O 3.17Å; A106-L108 VanDerWaalsContact C-N 3.28Å; A106-L108 PolarHBondContact O-N 3.18Å |
| 107 | S | 91.4 | Very high | 94.6 | Very high | 52 Ų | 52 | 31 Ų | 31 | 36% | 0.364 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -9.8 | -177.1 | 51.3 | 0 | 0 | 0 | 0 | 115.2 | V105 P109 Y310 | V105-S107 PolarHBondContact O-N 2.61Å; V105-S107 VanDerWaalsContact O-N 3.12Å; S107-P109 WeakPolarHBondContact O-CD 3.36Å; S107-Y310 WeakPolarHBondContact O-CB 3.32Å; S107-Y310 WeakPolarHBondContact O-CD1 3.03Å |
| 108 | L | 93.3 | Very high | 93.9 | Very high | 53 Ų | 53 | 34.9 Ų | 34.9 | 28% | 0.277 | 21% | 0.214 | S | C | . | . | trans | -122.5 | 74.6 | -177.3 | -58.7 | -179.7 | 0 | 0 | 0 | 109.7 | Q97 V105 A106 G110 A172 L174 | Q97-L108 VanDerWaalsContact CA-O 3.27Å; Q97-L108 WeakPolarHBondContact CA-O 3.39Å; Q97-L108 VanDerWaalsContact CB-O 3.28Å; Q97-L108 WeakPolarHBondContact CB-O 3.42Å; Q97-L108 WeakPolarHBondContact CG-O 3.34Å; V105-L108 HydrophobicContact CG1-CB 4.3Å; V105-L108 HydrophobicContact CG1-CD1 4.02Å; V105-L108 HydrophobicContact CG1-CG 4.04Å; V105-L108 PolarHBondContact O-N 3.22Å; V105-L108 VanDerWaalsContact O-N 3.15Å; A106-L108 VanDerWaalsContact C-N 3.28Å; A106-L108 PolarHBondContact O-N 3.18Å; L108-G110 VanDerWaalsContact C-N 3.26Å; L108-G110 PolarHBondContact O-N 2.87Å; L108-A172 WeakPolarHBondContact CD2-O 3.46Å; L108-L174 HydrophobicContact CB-CB 4.01Å; L108-L174 HydrophobicContact CD1-CB 3.81Å; L108-L174 HydrophobicContact CD1-CD1 4.21Å | ||
| 109 | P | 93.3 | Very high | 93.1 | Very high | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.013 | 21% | 0.209 | C | C | . | . | trans | -72.8 | -13.7 | -166.6 | 30.1 | -37.7 | 0 | 0 | 0 | 115.5 | S107 S301 Y307 G311 | S107-P109 WeakPolarHBondContact O-CD 3.36Å; P109-S301 WeakPolarHBondContact CB-OG 3.41Å; P109-S301 WeakPolarHBondContact CG-OG 3.3Å; P109-Y307 HydrophobicContact CB-CD1 3.73Å; P109-Y307 HydrophobicContact CB-CE1 3.77Å; P109-Y307 HydrophobicContact CG-CD1 4.19Å; P109-G311 WeakPolarHBondContact CD-O 3.39Å; P109-G311 WeakPolarHBondContact CG-O 3.49Å | ||
| 110 | G | 94.5 | Very high | 92.6 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | trans | -58.4 | 144.2 | -174 | 0 | 0 | 0 | 0 | 0 | 114.9 | N96 Q97 L108 E171 | N96-G110 CarbonylContact C-O 3.51Å; N96-G110 VanDerWaalsContact CA-O 3.29Å; N96-G110 WeakPolarHBondContact CA-O 3.41Å; Q97-G110 PolarHBondContact N-O 2.87Å; L108-G110 VanDerWaalsContact C-N 3.26Å; L108-G110 PolarHBondContact O-N 2.87Å; G110-E171 WeakPolarHBondContact CA-OE1 3.45Å | ||
| 111 | R | 97.6 | Very high | 92.4 | Very high | 25 Ų | 25 | 34.3 Ų | 34.3 | 9% | 0.094 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 130.8 | -179.1 | -60.4 | 178.6 | -164.7 | -141.5 | 6.1 | 112.2 | Y95 N96 H126 T127 F128 P129 N300 | Y95-R111 WeakPolarHBondContact CE2-O 3.42Å; Y95-R111 CarbonylContact O-C 3.49Å; Y95-R111 VanDerWaalsContact O-CA 3.28Å; Y95-R111 WeakPolarHBondContact O-CA 3.32Å; N96-R111 WeakPolarHBondContact OD1-CG 3.38Å; R111-H126 WeakPolarHBondContact CB-O 3.48Å; R111-T127 PolarHBondContact NH1-O 3.15Å; R111-F128 PolarHBondContact NH1-O 3.21Å; R111-P129 VanDerWaalsContact NH1-N 3.18Å; R111-N300 PolarHBondContact N-ND2 3.4Å |
| 112 | G | 98.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 167.6 | 175.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y95 I124 | Y95-G112 VanDerWaalsContact CD1-O 3.26Å; Y95-G112 WeakPolarHBondContact CD1-O 3.12Å; Y95-G112 VanDerWaalsContact CE1-C 3.44Å; Y95-G112 VanDerWaalsContact CZ-CA 3.45Å; Y95-G112 PolarHBondContact N-O 3.23Å; Y95-G112 PolarHBondContact O-N 3.42Å; Y95-G112 VanDerWaalsContact O-O 3.1Å; G112-I124 CarbonylContact C-O 3.47Å; G112-I124 WeakPolarHBondContact CA-O 3.49Å |
| 113 | V | 98.4 | Very high | 92.9 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.006 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 135.2 | -179.3 | -173.1 | 0 | 0 | 0 | 0 | 109.2 | I92 I93 A94 M115 I124 P132 L134 | I92-V113 HydrophobicContact CG2-CG1 4.49Å; I93-V113 CarbonylContact O-C 3.16Å; I93-V113 WeakPolarHBondContact O-CA 3.27Å; A94-V113 HydrophobicContact CB-CG1 4.31Å; A94-V113 HydrophobicContact CB-CG2 4.21Å; V113-M115 HydrophobicContact CG1-CG 3.68Å; V113-M115 HydrophobicContact CG1-SD 4.32Å; V113-I124 HydrophobicContact CB-CB 4.18Å; V113-I124 HydrophobicContact CB-CD1 4.24Å; V113-I124 PolarHBondContact N-O 2.96Å; V113-I124 PolarHBondContact O-N 2.72Å; V113-P132 HydrophobicContact CG2-CG 3.73Å; V113-L134 HydrophobicContact CG1-CD1 3.65Å; V113-L134 HydrophobicContact CG2-CD1 4.26Å |
| 114 | L | 97.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 128.1 | 166 | -72.1 | 153 | 0 | 0 | 0 | 107.9 | I92 I93 V116 W123 I157 F161 I164 V165 L168 | I92-L114 WeakPolarHBondContact CA-O 3.36Å; I93-L114 HydrophobicContact CB-CB 4.22Å; I93-L114 HydrophobicContact CB-CD1 4.35Å; I93-L114 HydrophobicContact CD1-CD1 4.36Å; I93-L114 PolarHBondContact N-O 2.75Å; I93-L114 PolarHBondContact O-N 3.37Å; L114-V116 HydrophobicContact CB-CG2 4.49Å; L114-W123 HydrophobicContact CD2-CB 3.58Å; L114-W123 HydrophobicContact CD2-CG 3.64Å; L114-W123 HydrophobicContact CG-CG 4.33Å; L114-I157 HydrophobicContact CD2-CD1 3.63Å; L114-F161 HydrophobicContact CB-CE2 3.88Å; L114-F161 HydrophobicContact CD1-CD2 4.43Å; L114-F161 HydrophobicContact CD1-CE2 3.89Å; L114-F161 HydrophobicContact CD2-CD2 4.08Å; L114-F161 HydrophobicContact CD2-CE2 4.12Å; L114-F161 HydrophobicContact CG-CE2 4.17Å; L114-I164 HydrophobicContact CD1-CG2 4.11Å; L114-I164 HydrophobicContact CD2-CG2 4.03Å; L114-V165 HydrophobicContact CD1-CG2 4.18Å; L114-L168 HydrophobicContact CD1-CD1 3.5Å |
| 115 | M | 95.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 113 | 175.1 | -54.2 | -168.3 | -66.4 | 0 | 0 | 109.1 | F22 T69 L70 Y73 I92 V113 G121 I122 I124 | F22-M115 HydrophobicContact CD2-CB 3.71Å; F22-M115 HydrophobicContact CD2-CE 4.15Å; F22-M115 HydrophobicContact CE2-CB 3.8Å; F22-M115 HydrophobicContact CE2-CE 4.3Å; F22-M115 HydrophobicContact CE2-SD 4.31Å; T69-M115 WeakPolarHBondContact O-CE 3.46Å; L70-M115 HydrophobicContact CD2-CE 4.42Å; Y73-M115 HydrophobicContact CG-SD 4.43Å; I92-M115 HydrophobicContact CD1-CB 3.82Å; I92-M115 HydrophobicContact CD1-CG 3.61Å; I92-M115 HydrophobicContact CD1-SD 4.23Å; V113-M115 HydrophobicContact CG1-CG 3.68Å; V113-M115 HydrophobicContact CG1-SD 4.32Å; M115-G121 CarbonylContact O-C 3.51Å; M115-G121 WeakPolarHBondContact O-CA 3.31Å; M115-I122 HydrophobicContact CB-CG1 4.26Å; M115-I122 HydrophobicContact CE-CD1 3.4Å; M115-I122 VanDerWaalsContact CE-CD1 3.4Å; M115-I122 HydrophobicContact CE-CG1 3.78Å; M115-I122 PolarHBondContact N-O 3.31Å; M115-I122 PolarHBondContact O-N 3.09Å; M115-I124 HydrophobicContact CE-CD1 3.99Å |
| 116 | V | 92.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 90 | -164 | -171.6 | 0 | 0 | 0 | 0 | 110.6 | G91 L114 G119 I157 F161 | G91-V116 PolarHBondContact N-O 2.81Å; G91-V116 PolarHBondContact O-N 3.08Å; L114-V116 HydrophobicContact CB-CG2 4.49Å; V116-G119 VanDerWaalsContact CG1-C 3.45Å; V116-G119 WeakPolarHBondContact CG1-O 3.25Å; V116-I157 HydrophobicContact CG2-CD1 4.35Å; V116-F161 HydrophobicContact CB-CD1 4.41Å; V116-F161 HydrophobicContact CB-CE1 4.31Å; V116-F161 HydrophobicContact CB-CE2 4.5Å; V116-F161 HydrophobicContact CB-CZ 4.37Å; V116-F161 HydrophobicContact CG1-CD1 4Å; V116-F161 HydrophobicContact CG1-CE1 4.31Å; V116-F161 HydrophobicContact CG1-CG 4.2Å; V116-F161 HydrophobicContact CG2-CD1 4.25Å; V116-F161 HydrophobicContact CG2-CD2 3.62Å; V116-F161 HydrophobicContact CG2-CE1 4.24Å; V116-F161 HydrophobicContact CG2-CE2 3.62Å; V116-F161 HydrophobicContact CG2-CG 3.94Å; V116-F161 HydrophobicContact CG2-CZ 3.96Å |
| 117 | P | 86.7 | Confident | 93.6 | Very high | 8 Ų | 8 | 14.3 Ų | 14.3 | 5% | 0.052 | 8% | 0.082 | C | C | . | . | S | Bend | trans | -60 | -49.4 | 174.1 | 20.7 | -32.8 | 0 | 0 | 0 | 113.9 | T20 F22 V90 T120 N185 | T20-P117 HydrophobicContact CG2-CB 4.4Å; T20-P117 WeakPolarHBondContact O-CG 3.41Å; F22-P117 HydrophobicContact CD1-CG 4.09Å; F22-P117 HydrophobicContact CE1-CG 4.44Å; F22-P117 HydrophobicContact CG-CG 4.34Å; V90-P117 HydrophobicContact CG2-CB 4.22Å; P117-T120 VanDerWaalsContact CD-O 3.28Å; P117-T120 WeakPolarHBondContact CD-O 3.37Å; P117-N185 PolarHBondContact O-ND2 2.99Å |
| 118 | D | 82.3 | Confident | 93.8 | Very high | 83 Ų | 83 | 12 Ų | 12 | 44% | 0.444 | 7% | 0.066 | S | C | . | . | S | Bend | trans | -148.9 | 67.9 | -176 | -173.8 | 20.7 | 0 | 0 | 0 | 112.6 | T120 | D118-T120 PolarHBondContact O-N 3.17Š|
| 119 | G | 79.1 | Confident | 93.9 | Very high | 4 Ų | 4 | 10.8 Ų | 10.8 | 4% | 0.041 | 6% | 0.061 | C | C | . | . | S | Bend | trans | 72.2 | -36.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | V116 S158 | V116-G119 VanDerWaalsContact CG1-C 3.45Å; V116-G119 WeakPolarHBondContact CG1-O 3.25Å; G119-S158 CarbonylContact C-O 3.43Å |
| 120 | T | 87.3 | Confident | 94.1 | Very high | 45 Ų | 45 | 13.1 Ų | 13.1 | 28% | 0.276 | 7% | 0.071 | S | C | . | . | trans | -92.9 | 143.2 | 171.6 | -61.6 | 0 | 0 | 0 | 0 | 110.4 | P117 D118 I157 S158 | P117-T120 VanDerWaalsContact CD-O 3.28Å; P117-T120 WeakPolarHBondContact CD-O 3.37Å; D118-T120 PolarHBondContact O-N 3.17Å; T120-I157 CarbonylContact C-O 3.46Å; T120-I157 VanDerWaalsContact CA-O 3.29Å; T120-I157 WeakPolarHBondContact CA-O 3.01Å; T120-I157 WeakPolarHBondContact CG2-O 3.32Å; T120-S158 VanDerWaalsContact CA-O 3.23Å; T120-S158 WeakPolarHBondContact CA-O 3.37Å; T120-S158 PolarHBondContact N-O 3.47Å; T120-S158 WeakPolarHBondContact OG1-CA 3.42Å; T120-S158 PolarHBondContact OG1-O 3.49Å | ||
| 121 | G | 93.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -179.6 | -149.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | M115 K156 I157 | M115-G121 CarbonylContact O-C 3.51Å; M115-G121 WeakPolarHBondContact O-CA 3.31Å; G121-K156 CarbonylContact O-C 3.5Å; G121-K156 WeakPolarHBondContact O-CA 3.26Å; G121-I157 PolarHBondContact N-O 2.88Å; G121-I157 PolarHBondContact O-N 2.78Å; G121-I157 VanDerWaalsContact O-O 3.11Å |
| 122 | I | 96.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 146.2 | 176.3 | 58.4 | 172.9 | 0 | 0 | 0 | 111.8 | F22 T69 M115 I124 V155 K156 | F22-I122 HydrophobicContact CB-CG1 4.36Å; F22-I122 HydrophobicContact CB-CG2 4.28Å; F22-I122 WeakPolarHBondContact O-CG2 3.46Å; T69-I122 HydrophobicContact CG2-CD1 3.36Å; M115-I122 HydrophobicContact CB-CG1 4.26Å; M115-I122 HydrophobicContact CE-CD1 3.4Å; M115-I122 VanDerWaalsContact CE-CD1 3.4Å; M115-I122 HydrophobicContact CE-CG1 3.78Å; M115-I122 PolarHBondContact N-O 3.31Å; M115-I122 PolarHBondContact O-N 3.09Å; I122-I124 HydrophobicContact CD1-CD1 4.09Å; I122-I124 HydrophobicContact CD1-CG1 4.34Å; I122-V155 CarbonylContact C-O 3.56Å; I122-V155 WeakPolarHBondContact CA-O 3.34Å; I122-K156 HydrophobicContact CG2-CB 4.41Å |
| 123 | W | 97.4 | Very high | 94.3 | Very high | 7 Ų | 7 | 13 Ų | 13 | 3% | 0.027 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 124.2 | 167.7 | -177.1 | 26.8 | 0 | 0 | 0 | 109.4 | Y95 L114 V125 V155 I157 I164 M167 L220 A222 L315 | Y95-W123 PolarHBondContact OH-NE1 2.76Å; L114-W123 HydrophobicContact CD2-CB 3.58Å; L114-W123 HydrophobicContact CD2-CG 3.64Å; L114-W123 HydrophobicContact CG-CG 4.33Å; W123-V125 HydrophobicContact CD2-CG2 4.15Å; W123-V125 HydrophobicContact CH2-CG2 4.31Å; W123-V125 HydrophobicContact CZ2-CG2 3.64Å; W123-V155 PolarHBondContact N-O 2.84Å; W123-V155 PolarHBondContact O-N 2.99Å; W123-I157 HydrophobicContact CB-CD1 4.29Å; W123-I157 HydrophobicContact CB-CG2 4.08Å; W123-I164 HydrophobicContact CD2-CG2 4.03Å; W123-I164 HydrophobicContact CE3-CD1 4.09Å; W123-I164 HydrophobicContact CE3-CG1 4.43Å; W123-I164 HydrophobicContact CE3-CG2 4.17Å; W123-I164 HydrophobicContact CG-CG2 4.47Å; W123-I164 HydrophobicContact CZ2-CG2 4.46Å; W123-I164 HydrophobicContact CZ3-CG2 4.43Å; W123-M167 HydrophobicContact CH2-CE 3.56Å; W123-M167 HydrophobicContact CZ2-CE 4.03Å; W123-M167 HydrophobicContact CZ3-CE 4.28Å; W123-L220 HydrophobicContact CE3-CD1 4.2Å; W123-L220 HydrophobicContact CZ3-CD1 4.26Å; W123-L220 HydrophobicContact CZ3-CD2 4.42Å; W123-A222 HydrophobicContact CH2-CB 3.95Å; W123-A222 HydrophobicContact CZ3-CB 4.01Å; W123-L315 HydrophobicContact CE3-CD1 4.33Å; W123-L315 HydrophobicContact CH2-CB 4.47Å; W123-L315 HydrophobicContact CH2-CD1 4.23Å; W123-L315 HydrophobicContact CZ3-CD1 3.7Å |
| 124 | I | 98.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 132.2 | 177.3 | -63.1 | 160.9 | 0 | 0 | 0 | 108.2 | T69 L70 G112 V113 M115 I122 F152 V153 C154 | T69-I124 HydrophobicContact CG2-CD1 4.11Å; L70-I124 HydrophobicContact CD2-CD1 3.84Å; G112-I124 CarbonylContact C-O 3.47Å; G112-I124 WeakPolarHBondContact CA-O 3.49Å; V113-I124 HydrophobicContact CB-CB 4.18Å; V113-I124 HydrophobicContact CB-CD1 4.24Å; V113-I124 PolarHBondContact N-O 2.96Å; V113-I124 PolarHBondContact O-N 2.72Å; M115-I124 HydrophobicContact CE-CD1 3.99Å; I122-I124 HydrophobicContact CD1-CD1 4.09Å; I122-I124 HydrophobicContact CD1-CG1 4.34Å; I124-F152 HydrophobicContact CB-CE2 4.43Å; I124-F152 HydrophobicContact CB-CZ 4.23Å; I124-F152 HydrophobicContact CD1-CE2 4.22Å; I124-F152 HydrophobicContact CD1-CZ 3.66Å; I124-F152 HydrophobicContact CG1-CE1 4.27Å; I124-F152 HydrophobicContact CG1-CE2 4.4Å; I124-F152 HydrophobicContact CG1-CZ 3.76Å; I124-F152 HydrophobicContact CG2-CD1 4.42Å; I124-F152 HydrophobicContact CG2-CD2 3.72Å; I124-F152 HydrophobicContact CG2-CE1 4.01Å; I124-F152 HydrophobicContact CG2-CE2 3.25Å; I124-F152 HydrophobicContact CG2-CG 4.3Å; I124-F152 HydrophobicContact CG2-CZ 3.42Å; I124-F152 VanDerWaalsContact CG2-CZ 3.42Å; I124-V153 CarbonylContact C-O 3.53Å; I124-V153 VanDerWaalsContact CA-O 3.27Å; I124-V153 WeakPolarHBondContact CA-O 3.12Å; I124-C154 HydrophobicContact CG1-CB 4.29Å |
| 125 | V | 98.3 | Very high | 94 | Very high | 3 Ų | 3 | 17.3 Ų | 17.3 | 2% | 0.018 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 133.9 | 168.7 | -173.8 | 0 | 0 | 0 | 0 | 107.7 | W123 V153 F298 N300 L315 | W123-V125 HydrophobicContact CD2-CG2 4.15Å; W123-V125 HydrophobicContact CH2-CG2 4.31Å; W123-V125 HydrophobicContact CZ2-CG2 3.64Å; V125-V153 PolarHBondContact N-O 2.91Å; V125-V153 PolarHBondContact O-N 3.17Å; V125-F298 HydrophobicContact CB-CD1 4.18Å; V125-F298 HydrophobicContact CB-CE1 4.15Å; V125-F298 HydrophobicContact CG1-CD1 3.81Å; V125-F298 HydrophobicContact CG1-CE1 3.71Å; V125-N300 HydrophobicContact CG1-CB 3.5Å; V125-N300 VanDerWaalsContact CG1-CB 3.5Å; V125-L315 HydrophobicContact CB-CD2 4.38Å; V125-L315 HydrophobicContact CG2-CB 4.38Å; V125-L315 HydrophobicContact CG2-CD2 3.88Å |
| 126 | H | 98 | Very high | 93.7 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 172.9 | -177.4 | 66.8 | 86 | 0 | 0 | 0 | 113.6 | N96 R111 F128 F131 M151 F152 | N96-H126 PolarHBondContact ND2-CE1 2.96Å; R111-H126 WeakPolarHBondContact CB-O 3.48Å; H126-F128 HydrophobicContact CB-CD2 4.09Å; H126-F128 PolarHBondContact ND1-N 3.37Å; H126-F128 VanDerWaalsContact ND1-N 3.19Å; H126-F131 AromaticContact CE1-CD1 3.88Å; H126-M151 CarbonylContact C-O 3.55Å; H126-M151 WeakPolarHBondContact CA-O 3.2Å; H126-M151 WeakPolarHBondContact CB-O 3.44Å; H126-F152 HydrophobicContact CB-CB 4.45Å; H126-F152 HydrophobicContact CB-CD2 4.12Å |
| 127 | T | 96 | Very high | 93.6 | Very high | 16 Ų | 16 | 27.4 Ų | 27.4 | 10% | 0.098 | 15% | 0.147 | C | C | . | . | trans | -113.9 | 4.3 | 174.8 | 59.5 | 0 | 0 | 0 | 0 | 114.6 | R111 G150 M151 F298 | R111-T127 PolarHBondContact NH1-O 3.15Å; T127-G150 WeakPolarHBondContact OG1-CA 3.44Å; T127-M151 PolarHBondContact N-O 3.06Å; T127-M151 PolarHBondContact OG1-N 3.31Å; T127-F298 HydrophobicContact CG2-CE2 3.63Å; T127-F298 HydrophobicContact CG2-CZ 3.48Å; T127-F298 VanDerWaalsContact CG2-CZ 3.48Å | ||
| 128 | F | 95.9 | Very high | 93.9 | Very high | 5 Ų | 5 | 27.6 Ų | 27.6 | 2% | 0.022 | 15% | 0.149 | C | C | . | . | trans | -72 | 135 | -174.2 | -59.5 | -44.4 | 0 | 0 | 0 | 114.8 | K39 M60 I66 N96 R111 H126 F131 P143 F152 | K39-F128 HydrophobicContact CB-CE1 3.86Å; K39-F128 HydrophobicContact CB-CZ 4.12Å; K39-F128 HydrophobicContact CD-CE1 3.91Å; K39-F128 HydrophobicContact CG-CE1 4.47Å; M60-F128 HydrophobicContact CE-CE1 4.25Å; M60-F128 HydrophobicContact CE-CZ 4.24Å; I66-F128 HydrophobicContact CD1-CE2 4.02Å; I66-F128 HydrophobicContact CD1-CZ 4.18Å; N96-F128 PolarHBondContact ND2-O 3.28Å; N96-F128 VanDerWaalsContact ND2-O 3.09Å; R111-F128 PolarHBondContact NH1-O 3.21Å; H126-F128 HydrophobicContact CB-CD2 4.09Å; H126-F128 PolarHBondContact ND1-N 3.37Å; H126-F128 VanDerWaalsContact ND1-N 3.19Å; F128-F131 HydrophobicContact CB-CB 3.95Å; F128-F131 HydrophobicContact CB-CD1 3.93Å; F128-F131 HydrophobicContact CB-CG 4.11Å; F128-F131 AromaticContact CD2-CD1 3.87Å; F128-F131 HydrophobicContact CD2-CD1 3.87Å; F128-F131 AromaticContact CD2-CE1 3.85Å; F128-F131 HydrophobicContact CD2-CE1 3.85Å; F128-F131 HydrophobicContact CD2-CZ 4.46Å; F128-F131 HydrophobicContact CG-CD1 4.4Å; F128-P143 HydrophobicContact CB-CB 3.78Å; F128-P143 HydrophobicContact CB-CG 3.67Å; F128-P143 HydrophobicContact CD1-CB 4.36Å; F128-P143 HydrophobicContact CD1-CG 4.05Å; F128-P143 HydrophobicContact CD2-CG 3.8Å; F128-P143 HydrophobicContact CE2-CG 4.43Å; F128-P143 HydrophobicContact CG-CB 4.08Å; F128-P143 HydrophobicContact CG-CG 3.57Å; F128-F152 HydrophobicContact CE2-CB 3.77Å; F128-F152 HydrophobicContact CE2-CD2 4.17Å; F128-F152 HydrophobicContact CE2-CG 4.46Å; F128-F152 HydrophobicContact CZ-CB 4.32Å | ||
| 129 | P | 95.7 | Very high | 94.6 | Very high | 27 Ų | 27 | 28.3 Ų | 28.3 | 18% | 0.175 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -84.9 | 152.3 | 171 | 34.1 | -32.9 | 0 | 0 | 0 | 111.6 | H98 R111 F131 K144 | H98-P129 HydrophobicContact CB-CB 4.24Å; R111-P129 VanDerWaalsContact NH1-N 3.18Å; P129-F131 PolarHBondContact O-N 2.77Å; P129-K144 HydrophobicContact CG-CB 4.4Å; P129-K144 PolarHBondContact O-N 2.88Å |
| 130 | Q | 97.2 | Very high | 95.5 | Very high | 50 Ų | 50 | 29.6 Ų | 29.6 | 23% | 0.234 | 16% | 0.16 | C | C | . | . | S | Bend | trans | 49.4 | 55.2 | -178.8 | -58.8 | -168.9 | -90.5 | 0 | 0 | 112.1 | H98 P100 K144 | H98-Q130 VanDerWaalsContact CD2-CG 3.46Å; H98-Q130 WeakPolarHBondContact CD2-CG 3.4Å; H98-Q130 VanDerWaalsContact NE2-CG 3.34Å; H98-Q130 WeakPolarHBondContact NE2-CG 3.11Å; H98-Q130 WeakPolarHBondContact O-CA 3.13Å; H98-Q130 PolarHBondContact O-N 2.93Å; P100-Q130 PolarHBondContact O-NE2 2.9Å; Q130-K144 HydrophobicContact CB-CB 3.95Å; Q130-K144 HydrophobicContact CG-CB 4.23Å |
| 131 | F | 97.9 | Very high | 96 | Very high | 2 Ų | 2 | 32.5 Ų | 32.5 | 1% | 0.009 | 17% | 0.17 | C | C | . | . | trans | -161.5 | 151.6 | -172.4 | -179.7 | -99.2 | 0 | 0 | 0 | 112.8 | I66 L70 N96 H126 F128 P129 Y140 P143 F152 | I66-F131 HydrophobicContact CG2-CZ 3.76Å; L70-F131 HydrophobicContact CD1-CE1 3.93Å; L70-F131 HydrophobicContact CD1-CE2 3.81Å; L70-F131 HydrophobicContact CD1-CZ 3.22Å; N96-F131 PolarHBondContact ND2-O 3.15Å; H126-F131 AromaticContact CE1-CD1 3.88Å; F128-F131 HydrophobicContact CB-CB 3.95Å; F128-F131 HydrophobicContact CB-CD1 3.93Å; F128-F131 HydrophobicContact CB-CG 4.11Å; F128-F131 AromaticContact CD2-CD1 3.87Å; F128-F131 HydrophobicContact CD2-CD1 3.87Å; F128-F131 AromaticContact CD2-CE1 3.85Å; F128-F131 HydrophobicContact CD2-CE1 3.85Å; F128-F131 HydrophobicContact CD2-CZ 4.46Å; F128-F131 HydrophobicContact CG-CD1 4.4Å; P129-F131 PolarHBondContact O-N 2.77Å; F131-Y140 HydrophobicContact CE2-CE2 4.3Å; F131-P143 HydrophobicContact CB-CB 4.06Å; F131-P143 HydrophobicContact CB-CG 4.01Å; F131-P143 HydrophobicContact CD1-CG 4.29Å; F131-P143 HydrophobicContact CD2-CB 4.25Å; F131-P143 HydrophobicContact CD2-CG 3.46Å; F131-P143 VanDerWaalsContact CD2-CG 3.46Å; F131-P143 HydrophobicContact CE2-CG 3.87Å; F131-P143 HydrophobicContact CG-CB 4.27Å; F131-P143 HydrophobicContact CG-CG 3.66Å; F131-P143 HydrophobicContact CZ-CG 4.41Å; F131-F152 HydrophobicContact CE1-CD2 4.2Å; F131-F152 HydrophobicContact CE1-CE2 4.13Å; F131-F152 HydrophobicContact CZ-CE2 4.46Å | ||
| 132 | P | 98.2 | Very high | 96.1 | Very high | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.013 | 18% | 0.184 | C | C | . | . | cis | -80.7 | 160.4 | -25.2 | 31.5 | -34.6 | 0 | 0 | 0 | 112 | L70 P100 V113 L134 Y176 | L70-P132 HydrophobicContact CD1-CB 3.77Å; L70-P132 HydrophobicContact CD1-CG 4.26Å; L70-P132 HydrophobicContact CD2-CB 4.28Å; L70-P132 HydrophobicContact CD2-CG 3.98Å; P100-P132 WeakPolarHBondContact CG-O 3.32Å; V113-P132 HydrophobicContact CG2-CG 3.73Å; P132-L134 HydrophobicContact CB-CD2 4.4Å; P132-L134 HydrophobicContact CB-CG 4.3Å; P132-L134 HydrophobicContact CG-CD1 3.88Å; P132-L134 HydrophobicContact CG-CD2 4.2Å; P132-L134 HydrophobicContact CG-CG 3.89Å; P132-Y176 VanDerWaalsContact CD-OH 3.23Å; P132-Y176 WeakPolarHBondContact CD-OH 3.36Å; P132-Y176 WeakPolarHBondContact O-CE2 3.21Å; P132-Y176 PolarHBondContact O-OH 3.17Å | ||
| 133 | N | 97.9 | Very high | 96 | Very high | 20 Ų | 20 | 36 Ų | 36 | 11% | 0.107 | 19% | 0.187 | C | C | . | . | trans | -81.1 | 127.1 | 161.7 | -169.1 | 1.1 | 0 | 0 | 0 | 109.3 | P100 E135 A138 | P100-N133 HydrophobicContact CB-CB 4.12Å; P100-N133 HydrophobicContact CG-CB 4.28Å; N133-E135 WeakPolarHBondContact OD1-CG 3.48Å; N133-E135 PolarHBondContact OD1-N 2.94Å; N133-E135 VanDerWaalsContact OD1-N 3.15Å; N133-A138 HydrophobicContact CB-CB 4.2Å | ||
| 134 | L | 96.8 | Very high | 95.8 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | trans | -130.1 | 13.7 | -176.5 | -63.8 | 172 | 0 | 0 | 0 | 111.9 | L70 Y73 I74 I92 A94 V113 P132 F177 | L70-L134 HydrophobicContact CD2-CD2 4.44Å; Y73-L134 HydrophobicContact CD1-CD2 3.93Å; Y73-L134 HydrophobicContact CE1-CB 4.16Å; Y73-L134 HydrophobicContact CE1-CD2 4.36Å; Y73-L134 WeakPolarHBondContact CE1-O 3.25Å; I74-L134 HydrophobicContact CD1-CD2 4.31Å; I74-L134 HydrophobicContact CG1-CD2 4.09Å; I92-L134 HydrophobicContact CG2-CD1 3.97Å; A94-L134 HydrophobicContact CB-CD1 3.76Å; V113-L134 HydrophobicContact CG1-CD1 3.65Å; V113-L134 HydrophobicContact CG2-CD1 4.26Å; P132-L134 HydrophobicContact CB-CD2 4.4Å; P132-L134 HydrophobicContact CB-CG 4.3Å; P132-L134 HydrophobicContact CG-CD1 3.88Å; P132-L134 HydrophobicContact CG-CD2 4.2Å; P132-L134 HydrophobicContact CG-CG 3.89Å; L134-F177 HydrophobicContact CB-CD1 3.77Å; L134-F177 HydrophobicContact CB-CE1 3.91Å; L134-F177 HydrophobicContact CB-CG 4.3Å; L134-F177 VanDerWaalsContact O-CE1 3.3Å; L134-F177 WeakPolarHBondContact O-CE1 3.32Å; L134-F177 WeakPolarHBondContact O-CZ 3.23Å | ||
| 135 | E | 94 | Very high | 95.4 | Very high | 90 Ų | 90 | 50 Ų | 50 | 42% | 0.421 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -58.1 | 157.7 | 172.5 | -67.3 | 175.1 | 179 | 0 | 0 | 110.9 | N133 D137 A138 F177 | N133-E135 WeakPolarHBondContact OD1-CG 3.48Å; N133-E135 PolarHBondContact OD1-N 2.94Å; N133-E135 VanDerWaalsContact OD1-N 3.15Å; E135-D137 PolarHBondContact O-N 3.34Å; E135-A138 HydrophobicContact CB-CB 4.32Å; E135-A138 WeakPolarHBondContact O-CB 3.48Å; E135-A138 PolarHBondContact O-N 2.99Å; E135-F177 HydrophobicContact CG-CD2 4.46Å; E135-F177 HydrophobicContact CG-CE2 4.47Å |
| 136 | D | 89.1 | Confident | 94.9 | Very high | 76 Ų | 76 | 51.7 Ų | 51.7 | 41% | 0.406 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -28.7 | -170.3 | -75.1 | -37.3 | 0 | 0 | 0 | 113.3 | K87 K179 | K87-D136 WeakPolarHBondContact CE-O 3.46Å; D136-K179 IonicContact OD1-NZ 2.77Å; D136-K179 PolarHBondContact OD1-NZ 2.88Å; D136-K179 IonicContact OD2-NZ 3.4Å |
| 137 | D | 90.3 | Very high | 94.6 | Very high | 137 Ų | 137 | 55.4 Ų | 55.4 | 73% | 0.733 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.8 | 5.3 | 176.3 | 67.3 | -26.4 | 0 | 0 | 0 | 113.6 | E135 | E135-D137 PolarHBondContact O-N 3.34Š|
| 138 | A | 93.6 | Very high | 94.5 | Very high | 11 Ų | 11 | 57.9 Ų | 57.9 | 9% | 0.091 | 28% | 0.283 | C | S | . | . | trans | -64.8 | 149.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I74 N133 E135 | I74-A138 WeakPolarHBondContact CG2-O 3.07Å; N133-A138 HydrophobicContact CB-CB 4.2Å; E135-A138 HydrophobicContact CB-CB 4.32Å; E135-A138 WeakPolarHBondContact O-CB 3.48Å; E135-A138 PolarHBondContact O-N 2.99Å | ||
| 139 | T | 96.2 | Very high | 94.4 | Very high | 98 Ų | 98 | 57.7 Ų | 57.7 | 60% | 0.601 | 28% | 0.283 | S | S | * | . | trans | -111.7 | 164 | 162.8 | 60.5 | 0 | 0 | 0 | 0 | 109.1 | E141 | T139-E141 PolarHBondContact O-N 3.43Å; T139-E141 VanDerWaalsContact O-N 3.16Å | ||
| 140 | Y | 97.7 | Very high | 94.4 | Very high | 32 Ų | 32 | 56.5 Ų | 56.5 | 13% | 0.125 | 28% | 0.275 | C | S | . | . | trans | -62.1 | 122 | 177.9 | 176.5 | -95.8 | 0 | 0 | 0 | 111.3 | M60 A62 G67 L70 N71 I74 F131 K142 | M60-Y140 VanDerWaalsContact O-CE1 3.28Å; M60-Y140 WeakPolarHBondContact O-CE1 3.46Å; M60-Y140 PolarHBondContact O-OH 3.04Å; A62-Y140 HydrophobicContact CB-CD1 3.67Å; A62-Y140 HydrophobicContact CB-CE1 4.34Å; A62-Y140 HydrophobicContact CB-CG 4.11Å; G67-Y140 VanDerWaalsContact CA-CE2 3.44Å; L70-Y140 HydrophobicContact CD1-CD2 4.46Å; L70-Y140 HydrophobicContact CD1-CE2 4.09Å; N71-Y140 WeakPolarHBondContact OD1-CB 3.16Å; I74-Y140 HydrophobicContact CD1-CD2 4.44Å; F131-Y140 HydrophobicContact CE2-CE2 4.3Å; Y140-K142 HydrophobicContact CE1-CG 4.18Å | ||
| 141 | E | 97.1 | Very high | 94.4 | Very high | 106 Ų | 106 | 54.1 Ų | 54.1 | 50% | 0.495 | 26% | 0.264 | S | S | . | . | trans | -119.7 | 137.5 | 173.5 | -69.3 | 179.5 | -165 | 0 | 0 | 110.5 | T139 | T139-E141 PolarHBondContact O-N 3.43Å; T139-E141 VanDerWaalsContact O-N 3.16Å | ||
| 142 | K | 96 | Very high | 94.5 | Very high | 64 Ų | 64 | 54 Ų | 54 | 28% | 0.278 | 26% | 0.264 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 149.7 | 171.6 | -64.6 | 176.2 | -176.3 | 170.6 | 0 | 109.7 | E44 M60 E61 Y140 | E44-K142 WeakPolarHBondContact OE2-CD 3.4Å; E44-K142 WeakPolarHBondContact OE2-CE 3.46Å; E44-K142 IonicContact OE2-NZ 3.77Å; E44-K142 PolarHBondContact OE2-NZ 2.98Å; M60-K142 HydrophobicContact CB-CD 4.36Å; M60-K142 HydrophobicContact CB-CG 4.33Å; M60-K142 WeakPolarHBondContact O-CG 3.45Å; E61-K142 WeakPolarHBondContact OE1-CE 3.27Å; E61-K142 IonicContact OE1-NZ 2.75Å; E61-K142 PolarHBondContact OE1-NZ 3.42Å; E61-K142 WeakPolarHBondContact OE2-CE 3.35Å; E61-K142 IonicContact OE2-NZ 3.28Å; E61-K142 PolarHBondContact OE2-NZ 2.98Å; Y140-K142 HydrophobicContact CE1-CG 4.18Å |
| 143 | P | 94.6 | Very high | 94.5 | Very high | 9 Ų | 9 | 53.9 Ų | 53.9 | 6% | 0.058 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -50.4 | 152.5 | 166.6 | -26 | 33.6 | 0 | 0 | 0 | 113.2 | M60 F128 F131 R145 | M60-P143 HydrophobicContact CE-CB 4.26Å; M60-P143 HydrophobicContact CE-CG 3.47Å; M60-P143 VanDerWaalsContact CE-CG 3.47Å; F128-P143 HydrophobicContact CB-CB 3.78Å; F128-P143 HydrophobicContact CB-CG 3.67Å; F128-P143 HydrophobicContact CD1-CB 4.36Å; F128-P143 HydrophobicContact CD1-CG 4.05Å; F128-P143 HydrophobicContact CD2-CG 3.8Å; F128-P143 HydrophobicContact CE2-CG 4.43Å; F128-P143 HydrophobicContact CG-CB 4.08Å; F128-P143 HydrophobicContact CG-CG 3.57Å; F131-P143 HydrophobicContact CB-CB 4.06Å; F131-P143 HydrophobicContact CB-CG 4.01Å; F131-P143 HydrophobicContact CD1-CG 4.29Å; F131-P143 HydrophobicContact CD2-CB 4.25Å; F131-P143 HydrophobicContact CD2-CG 3.46Å; F131-P143 VanDerWaalsContact CD2-CG 3.46Å; F131-P143 HydrophobicContact CE2-CG 3.87Å; F131-P143 HydrophobicContact CG-CB 4.27Å; F131-P143 HydrophobicContact CG-CG 3.66Å; F131-P143 HydrophobicContact CZ-CG 4.41Å; P143-R145 PolarHBondContact O-N 3.33Å; P143-R145 VanDerWaalsContact O-N 3.15Å |
| 144 | K | 93.4 | Very high | 94.5 | Very high | 113 Ų | 113 | 53 Ų | 53 | 49% | 0.491 | 26% | 0.258 | S | S | . | . | P | Polyproline II helix | trans | -50.9 | 128 | 169.5 | -171.9 | -156 | -155.8 | 112 | 0 | 109.6 | P129 Q130 S146 | P129-K144 HydrophobicContact CG-CB 4.4Å; P129-K144 PolarHBondContact O-N 2.88Å; Q130-K144 HydrophobicContact CB-CB 3.95Å; Q130-K144 HydrophobicContact CG-CB 4.23Å; K144-S146 PolarHBondContact O-N 3.05Å |
| 145 | R | 89 | Confident | 94.5 | Very high | 189 Ų | 189 | 52.9 Ų | 52.9 | 71% | 0.713 | 26% | 0.258 | S | S | * | . | P | Polyproline II helix | trans | -50.8 | 126.6 | 178.7 | -171.1 | 174.9 | -178.4 | -176.5 | 2 | 110.5 | Q42 P143 | Q42-R145 PolarHBondContact O-NH2 2.76Å; P143-R145 PolarHBondContact O-N 3.33Å; P143-R145 VanDerWaalsContact O-N 3.15Å |
| 146 | S | 89 | Confident | 94.6 | Very high | 38 Ų | 38 | 50 Ų | 50 | 27% | 0.266 | 24% | 0.244 | S | C | . | . | trans | -129.2 | 141.8 | 176.1 | 176.5 | 0 | 0 | 0 | 0 | 109.3 | K39 K144 K148 | K39-S146 PolarHBondContact NZ-O 3.1Å; K144-S146 PolarHBondContact O-N 3.05Å; S146-K148 PolarHBondContact O-N 3.41Å; S146-K148 PolarHBondContact OG-N 3.29Å; S146-K148 VanDerWaalsContact OG-N 3.12Å | ||
| 147 | N | 91.2 | Very high | 94.7 | Very high | 77 Ų | 77 | 46.5 Ų | 46.5 | 41% | 0.412 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -79.3 | -1.7 | 172.6 | 67.6 | -6.8 | 0 | 0 | 0 | 112.9 | P41 Q42 | P41-N147 WeakPolarHBondContact CB-O 3.02Å; Q42-N147 PolarHBondContact N-O 3.38Å |
| 148 | K | 92.9 | Very high | 94.1 | Very high | 68 Ų | 68 | 42.8 Ų | 42.8 | 30% | 0.296 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -97.6 | 151.8 | 175.8 | -53.6 | -61 | -178.5 | -178.5 | 0 | 110.9 | K39 S146 Q281 Y282 | K39-K148 WeakPolarHBondContact CE-O 3.41Å; S146-K148 PolarHBondContact O-N 3.41Å; S146-K148 PolarHBondContact OG-N 3.29Å; S146-K148 VanDerWaalsContact OG-N 3.12Å; K148-Q281 PolarHBondContact NZ-O 2.81Å; K148-Y282 CarbonylContact C-O 3.56Å; K148-Y282 VanDerWaalsContact CA-O 3.25Å; K148-Y282 WeakPolarHBondContact CA-O 3.38Å |
| 149 | A | 94.9 | Very high | 93.2 | Very high | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.008 | 24% | 0.242 | C | C | . | . | B | Isolated β-bridge | trans | -63.3 | 156.5 | 164.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y38 K39 P41 Y282 D283 S284 | Y38-A149 HydrophobicContact CE1-CB 3.92Å; Y38-A149 HydrophobicContact CE2-CB 4.25Å; Y38-A149 WeakPolarHBondContact OH-CB 3.36Å; K39-A149 WeakPolarHBondContact O-CA 3.25Å; K39-A149 WeakPolarHBondContact O-CB 3.44Å; P41-A149 HydrophobicContact CG-CB 3.99Å; A149-Y282 PolarHBondContact N-O 3Å; A149-D283 HydrophobicContact CB-CB 4.19Å; A149-S284 PolarHBondContact O-N 2.9Å; A149-S284 PolarHBondContact O-OG 2.64Å |
| 150 | G | 95.6 | Very high | 92.6 | Very high | 2 Ų | 2 | 44.1 Ų | 44.1 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 170.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111 | K39 T127 T285 | K39-G150 PolarHBondContact N-O 2.83Å; K39-G150 PolarHBondContact O-N 2.83Å; T127-G150 WeakPolarHBondContact OG1-CA 3.44Å; G150-T285 VanDerWaalsContact C-CG2 3.49Å |
| 151 | M | 97.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 150.4 | -179.3 | -168.1 | 161.3 | 63.3 | 0 | 0 | 110.7 | V36 A37 H126 T127 V153 T285 W287 W296 F298 F326 | V36-M151 HydrophobicContact CG1-CG 4.12Å; V36-M151 HydrophobicContact CG1-SD 3.81Å; A37-M151 CarbonylContact O-C 3.04Å; A37-M151 VanDerWaalsContact O-CA 3.31Å; A37-M151 WeakPolarHBondContact O-CA 3.41Å; A37-M151 WeakPolarHBondContact O-CG 3.46Å; H126-M151 CarbonylContact C-O 3.55Å; H126-M151 WeakPolarHBondContact CA-O 3.2Å; H126-M151 WeakPolarHBondContact CB-O 3.44Å; T127-M151 PolarHBondContact N-O 3.06Å; T127-M151 PolarHBondContact OG1-N 3.31Å; M151-V153 HydrophobicContact CE-CG2 4.25Å; M151-V153 HydrophobicContact CG-CG2 4.13Å; M151-V153 HydrophobicContact SD-CG2 4.46Å; M151-T285 HydrophobicContact CB-CG2 3.7Å; M151-W287 HydrophobicContact CE-CB 4.37Å; M151-W296 HydrophobicContact CE-CH2 3.9Å; M151-W296 HydrophobicContact CE-CZ2 3.59Å; M151-W296 HydrophobicContact SD-CH2 4.24Å; M151-W296 HydrophobicContact SD-CZ2 3.88Å; M151-F298 HydrophobicContact CB-CE2 4.11Å; M151-F298 HydrophobicContact CB-CZ 3.91Å; M151-F298 HydrophobicContact CE-CB 3.75Å; M151-F298 HydrophobicContact CE-CD1 3.82Å; M151-F298 HydrophobicContact CE-CD2 2.93Å; M151-F298 HydrophobicContact CE-CE1 4.06Å; M151-F298 HydrophobicContact CE-CE2 3.26Å; M151-F298 HydrophobicContact CE-CG 3.23Å; M151-F298 HydrophobicContact CE-CZ 3.8Å; M151-F298 HydrophobicContact CG-CZ 4.45Å; M151-F326 HydrophobicContact SD-CE1 4.19Å; M151-F326 HydrophobicContact SD-CZ 3.73Å |
| 152 | F | 98.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 121.4 | 176.5 | -178.9 | -79.7 | 0 | 0 | 0 | 107.6 | M35 A37 I66 T69 I124 H126 F128 F131 C154 | M35-F152 HydrophobicContact CE-CD1 3.72Å; M35-F152 HydrophobicContact CE-CE1 3.65Å; M35-F152 HydrophobicContact SD-CD1 4.33Å; A37-F152 HydrophobicContact CB-CB 4.34Å; A37-F152 PolarHBondContact N-O 3.33Å; A37-F152 PolarHBondContact O-N 3.19Å; I66-F152 HydrophobicContact CD1-CB 4.07Å; I66-F152 HydrophobicContact CD1-CG 4.38Å; I66-F152 HydrophobicContact CG1-CB 4.13Å; I66-F152 HydrophobicContact CG1-CD1 4.1Å; I66-F152 HydrophobicContact CG1-CD2 4.32Å; I66-F152 HydrophobicContact CG1-CG 3.96Å; I66-F152 HydrophobicContact CG2-CD2 4.04Å; I66-F152 HydrophobicContact CG2-CE2 3.98Å; I66-F152 HydrophobicContact CG2-CZ 4.43Å; T69-F152 HydrophobicContact CG2-CE1 4.3Å; T69-F152 HydrophobicContact CG2-CZ 4.18Å; I124-F152 HydrophobicContact CB-CE2 4.43Å; I124-F152 HydrophobicContact CB-CZ 4.23Å; I124-F152 HydrophobicContact CD1-CE2 4.22Å; I124-F152 HydrophobicContact CD1-CZ 3.66Å; I124-F152 HydrophobicContact CG1-CE1 4.27Å; I124-F152 HydrophobicContact CG1-CE2 4.4Å; I124-F152 HydrophobicContact CG1-CZ 3.76Å; I124-F152 HydrophobicContact CG2-CD1 4.42Å; I124-F152 HydrophobicContact CG2-CD2 3.72Å; I124-F152 HydrophobicContact CG2-CE1 4.01Å; I124-F152 HydrophobicContact CG2-CE2 3.25Å; I124-F152 HydrophobicContact CG2-CG 4.3Å; I124-F152 HydrophobicContact CG2-CZ 3.42Å; I124-F152 VanDerWaalsContact CG2-CZ 3.42Å; H126-F152 HydrophobicContact CB-CB 4.45Å; H126-F152 HydrophobicContact CB-CD2 4.12Å; F128-F152 HydrophobicContact CE2-CB 3.77Å; F128-F152 HydrophobicContact CE2-CD2 4.17Å; F128-F152 HydrophobicContact CE2-CG 4.46Å; F128-F152 HydrophobicContact CZ-CB 4.32Å; F131-F152 HydrophobicContact CE1-CD2 4.2Å; F131-F152 HydrophobicContact CE1-CE2 4.13Å; F131-F152 HydrophobicContact CZ-CE2 4.46Å; F152-C154 HydrophobicContact CE1-CB 3.91Å |
| 153 | V | 98.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 120.5 | 179.4 | -177.1 | 0 | 0 | 0 | 0 | 107 | M35 V36 I124 V125 M151 V155 W296 F298 L315 L317 | M35-V153 WeakPolarHBondContact O-CA 3.34Å; V36-V153 HydrophobicContact CG1-CG2 4.36Å; V36-V153 HydrophobicContact CG2-CG1 4.33Å; V36-V153 HydrophobicContact CG2-CG2 4.45Å; I124-V153 CarbonylContact C-O 3.53Å; I124-V153 VanDerWaalsContact CA-O 3.27Å; I124-V153 WeakPolarHBondContact CA-O 3.12Å; V125-V153 PolarHBondContact N-O 2.91Å; V125-V153 PolarHBondContact O-N 3.17Å; M151-V153 HydrophobicContact CE-CG2 4.25Å; M151-V153 HydrophobicContact CG-CG2 4.13Å; M151-V153 HydrophobicContact SD-CG2 4.46Å; V153-V155 HydrophobicContact CG1-CG2 4.22Å; V153-W296 HydrophobicContact CG1-CZ3 4.39Å; V153-W296 HydrophobicContact CG2-CH2 3.68Å; V153-W296 HydrophobicContact CG2-CZ3 4.3Å; V153-F298 HydrophobicContact CB-CD1 4.17Å; V153-F298 HydrophobicContact CG2-CB 4.45Å; V153-F298 HydrophobicContact CG2-CD1 3.43Å; V153-F298 VanDerWaalsContact CG2-CD1 3.43Å; V153-F298 HydrophobicContact CG2-CE1 3.84Å; V153-F298 HydrophobicContact CG2-CG 4.17Å; V153-L315 HydrophobicContact CB-CD2 4.45Å; V153-L315 HydrophobicContact CG1-CD2 3.84Å; V153-L317 HydrophobicContact CG1-CD1 4.28Å |
| 154 | C | 98.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 137.6 | 171.5 | 173 | 0 | 0 | 0 | 0 | 109.1 | C24 W34 M35 T69 I124 F152 | C24-C154 WeakPolarHBondContact CA-SG 3.01Å; C24-C154 HydrophobicContact CB-CB 3.68Å; C24-C154 WeakPolarHBondContact CB-SG 3.48Å; C24-C154 WeakPolarHBondContact SG-CB 3.39Å; C24-C154 PolarHBondContact SG-O 3.13Å; C24-C154 CovalentContact SG-SG 2.04Å; C24-C154 PolarHBondContact SG-SG 2.69Å; W34-C154 CarbonylContact C-O 3.6Å; W34-C154 WeakPolarHBondContact CA-O 3.12Å; M35-C154 PolarHBondContact N-O 3.02Å; M35-C154 PolarHBondContact O-N 2.88Å; T69-C154 HydrophobicContact CG2-CB 4.4Å; I124-C154 HydrophobicContact CG1-CB 4.29Å; F152-C154 HydrophobicContact CE1-CB 3.91Å |
| 155 | V | 97 | Very high | 91.7 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 130 | 170.1 | -168.8 | 0 | 0 | 0 | 0 | 109.1 | C24 D33 I122 W123 V153 M215 L218 L220 L315 L317 | C24-V155 PolarHBondContact SG-N 2.72Å; C24-V155 VanDerWaalsContact SG-N 3.39Å; D33-V155 CarbonylContact O-C 3.48Å; D33-V155 WeakPolarHBondContact O-CA 3.45Å; I122-V155 CarbonylContact C-O 3.56Å; I122-V155 WeakPolarHBondContact CA-O 3.34Å; W123-V155 PolarHBondContact N-O 2.84Å; W123-V155 PolarHBondContact O-N 2.99Å; V153-V155 HydrophobicContact CG1-CG2 4.22Å; V155-M215 HydrophobicContact CG1-SD 4.23Å; V155-L218 HydrophobicContact CG1-CD1 4.5Å; V155-L218 HydrophobicContact CG1-CD2 4.42Å; V155-L220 HydrophobicContact CB-CD1 4.46Å; V155-L220 HydrophobicContact CG1-CD1 4.06Å; V155-L315 HydrophobicContact CG2-CD2 4.12Å; V155-L317 HydrophobicContact CG2-CD1 4.07Å; V155-L317 HydrophobicContact CG2-CD2 4.01Å |
| 156 | K | 95 | Very high | 91.9 | Very high | 30 Ų | 30 | 27.7 Ų | 27.7 | 13% | 0.13 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 139.5 | 170.4 | -166.2 | 176.3 | -171.4 | 175 | 0 | 109.5 | N21 E23 D33 G121 I122 M215 | N21-K156 WeakPolarHBondContact OD1-CE 3.26Å; N21-K156 PolarHBondContact OD1-NZ 2.92Å; E23-K156 HydrophobicContact CG-CD 4.2Å; E23-K156 IonicContact OE1-NZ 2.74Å; E23-K156 PolarHBondContact OE1-NZ 3.08Å; D33-K156 PolarHBondContact O-N 2.92Å; G121-K156 CarbonylContact O-C 3.5Å; G121-K156 WeakPolarHBondContact O-CA 3.26Å; I122-K156 HydrophobicContact CG2-CB 4.41Å; K156-M215 WeakPolarHBondContact O-CE 3.16Å |
| 157 | I | 91.2 | Very high | 92.1 | Very high | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.01 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 135.8 | -179 | 58.8 | 167.3 | 0 | 0 | 0 | 108.4 | L114 V116 T120 G121 W123 F161 I164 | L114-I157 HydrophobicContact CD2-CD1 3.63Å; V116-I157 HydrophobicContact CG2-CD1 4.35Å; T120-I157 CarbonylContact C-O 3.46Å; T120-I157 VanDerWaalsContact CA-O 3.29Å; T120-I157 WeakPolarHBondContact CA-O 3.01Å; T120-I157 WeakPolarHBondContact CG2-O 3.32Å; G121-I157 PolarHBondContact N-O 2.88Å; G121-I157 PolarHBondContact O-N 2.78Å; G121-I157 VanDerWaalsContact O-O 3.11Å; W123-I157 HydrophobicContact CB-CD1 4.29Å; W123-I157 HydrophobicContact CB-CG2 4.08Å; I157-F161 HydrophobicContact CD1-CB 4.3Å; I157-F161 HydrophobicContact CD1-CD2 4.15Å; I157-I164 HydrophobicContact CB-CD1 4.17Å; I157-I164 HydrophobicContact CD1-CD1 3.85Å; I157-I164 HydrophobicContact CG2-CD1 3.63Å |
| 158 | S | 79.5 | Confident | 92.3 | Very high | 58 Ų | 58 | 22.3 Ų | 22.3 | 41% | 0.406 | 13% | 0.128 | S | C | . | . | S | Bend | trans | -102.2 | -66.9 | -174.8 | 54.4 | 0 | 0 | 0 | 0 | 113.3 | G119 T120 | G119-S158 CarbonylContact C-O 3.43Å; T120-S158 VanDerWaalsContact CA-O 3.23Å; T120-S158 WeakPolarHBondContact CA-O 3.37Å; T120-S158 PolarHBondContact N-O 3.47Å; T120-S158 WeakPolarHBondContact OG1-CA 3.42Å; T120-S158 PolarHBondContact OG1-O 3.49Å |
| 159 | T | 73.6 | Confident | 92.3 | Very high | 125 Ų | 125 | 19.3 Ų | 19.3 | 77% | 0.767 | 12% | 0.115 | S | C | * | . | S | Bend | trans | -125.1 | 3.9 | -178 | 53.5 | 0 | 0 | 0 | 0 | 112.4 | F161 | T159-F161 VanDerWaalsContact C-N 3.26Å; T159-F161 PolarHBondContact O-N 3.11Å |
| 160 | A | 83.1 | Confident | 92.1 | Very high | 13 Ų | 13 | 20.4 Ų | 20.4 | 11% | 0.107 | 12% | 0.119 | C | C | . | . | trans | -84 | 1.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | N162 S163 I164 L213 | A160-N162 VanDerWaalsContact C-N 3.33Å; A160-N162 PolarHBondContact O-N 3.38Å; A160-S163 PolarHBondContact O-N 3.43Å; A160-I164 HydrophobicContact CB-CD1 4.28Å; A160-I164 WeakPolarHBondContact O-CG1 3.46Å; A160-I164 PolarHBondContact O-N 3.4Å; A160-L213 HydrophobicContact CB-CD1 3.3Å; A160-L213 HydrophobicContact CB-CD2 3.79Å; A160-L213 HydrophobicContact CB-CG 4.15Å | ||
| 161 | F | 88.8 | Confident | 91.9 | Very high | 3 Ų | 3 | 20.6 Ų | 20.6 | 1% | 0.013 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -55.5 | -47.5 | -175.1 | 178.1 | -130.4 | 0 | 0 | 0 | 112.1 | I93 L114 V116 I157 T159 S163 I164 V165 W188 P189 | I93-F161 HydrophobicContact CD1-CE2 4.06Å; I93-F161 HydrophobicContact CD1-CZ 3.78Å; I93-F161 HydrophobicContact CG1-CZ 4.48Å; L114-F161 HydrophobicContact CB-CE2 3.88Å; L114-F161 HydrophobicContact CD1-CD2 4.43Å; L114-F161 HydrophobicContact CD1-CE2 3.89Å; L114-F161 HydrophobicContact CD2-CD2 4.08Å; L114-F161 HydrophobicContact CD2-CE2 4.12Å; L114-F161 HydrophobicContact CG-CE2 4.17Å; V116-F161 HydrophobicContact CB-CD1 4.41Å; V116-F161 HydrophobicContact CB-CE1 4.31Å; V116-F161 HydrophobicContact CB-CE2 4.5Å; V116-F161 HydrophobicContact CB-CZ 4.37Å; V116-F161 HydrophobicContact CG1-CD1 4Å; V116-F161 HydrophobicContact CG1-CE1 4.31Å; V116-F161 HydrophobicContact CG1-CG 4.2Å; V116-F161 HydrophobicContact CG2-CD1 4.25Å; V116-F161 HydrophobicContact CG2-CD2 3.62Å; V116-F161 HydrophobicContact CG2-CE1 4.24Å; V116-F161 HydrophobicContact CG2-CE2 3.62Å; V116-F161 HydrophobicContact CG2-CG 3.94Å; V116-F161 HydrophobicContact CG2-CZ 3.96Å; I157-F161 HydrophobicContact CD1-CB 4.3Å; I157-F161 HydrophobicContact CD1-CD2 4.15Å; T159-F161 VanDerWaalsContact C-N 3.26Å; T159-F161 PolarHBondContact O-N 3.11Å; F161-S163 VanDerWaalsContact C-N 3.31Å; F161-S163 PolarHBondContact O-N 3.19Å; F161-I164 PolarHBondContact O-N 3.38Å; F161-V165 HydrophobicContact CD2-CG2 3.74Å; F161-V165 HydrophobicContact CE1-CG2 4.34Å; F161-V165 HydrophobicContact CE2-CG2 3.35Å; F161-V165 HydrophobicContact CG-CG2 4.39Å; F161-V165 HydrophobicContact CZ-CG2 3.68Å; F161-V165 WeakPolarHBondContact O-CG2 3.39Å; F161-V165 PolarHBondContact O-N 3.38Å; F161-W188 HydrophobicContact CE1-CD2 4.26Å; F161-W188 AromaticContact CE1-CE3 3.42Å; F161-W188 HydrophobicContact CE1-CE3 3.42Å; F161-W188 VanDerWaalsContact CE1-CE3 3.42Å; F161-W188 HydrophobicContact CE1-CH2 4.41Å; F161-W188 AromaticContact CE1-CZ3 3.49Å; F161-W188 HydrophobicContact CE1-CZ3 3.49Å; F161-W188 VanDerWaalsContact CE1-CZ3 3.49Å; F161-W188 AromaticContact CZ-CE3 3.87Å; F161-W188 HydrophobicContact CZ-CE3 3.87Å; F161-W188 HydrophobicContact CZ-CH2 4.03Å; F161-W188 AromaticContact CZ-CZ3 3.4Å; F161-W188 HydrophobicContact CZ-CZ3 3.4Å; F161-P189 VanDerWaalsContact CD1-CD 3.43Å; F161-P189 HydrophobicContact CD1-CG 3.79Å; F161-P189 HydrophobicContact CE1-CG 3.6Å; F161-P189 HydrophobicContact CZ-CG 4.22Å |
| 162 | N | 91.6 | Very high | 91.6 | Very high | 74 Ų | 74 | 21.3 Ų | 21.3 | 40% | 0.396 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -56.4 | -43.3 | 176.6 | -177.4 | 42.4 | 0 | 0 | 0 | 112.7 | A160 V165 E166 P189 N192 | A160-N162 VanDerWaalsContact C-N 3.33Å; A160-N162 PolarHBondContact O-N 3.38Å; N162-V165 PolarHBondContact O-N 2.73Å; N162-E166 WeakPolarHBondContact O-CB 3.29Å; N162-E166 PolarHBondContact O-N 3.43Å; N162-P189 HydrophobicContact CB-CB 3.87Å; N162-P189 WeakPolarHBondContact OD1-CB 3.39Å; N162-N192 PolarHBondContact OD1-ND2 2.89Å |
| 163 | S | 92.8 | Very high | 91.4 | Very high | 39 Ų | 39 | 21.9 Ų | 21.9 | 27% | 0.273 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -69 | -37.4 | 179.1 | -55.4 | 0 | 0 | 0 | 0 | 112.4 | A160 F161 E166 M167 L211 | A160-S163 PolarHBondContact O-N 3.43Å; F161-S163 VanDerWaalsContact C-N 3.31Å; F161-S163 PolarHBondContact O-N 3.19Å; S163-E166 PolarHBondContact O-N 3.21Å; S163-M167 WeakPolarHBondContact O-CB 3.33Å; S163-M167 PolarHBondContact O-N 2.65Å; S163-L211 WeakPolarHBondContact O-CD1 3.5Å |
| 164 | I | 94.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.6 | -47.4 | 174.5 | -66.2 | 165.4 | 0 | 0 | 0 | 110.2 | L114 W123 I157 A160 F161 E166 M167 L168 L211 L213 | L114-I164 HydrophobicContact CD1-CG2 4.11Å; L114-I164 HydrophobicContact CD2-CG2 4.03Å; W123-I164 HydrophobicContact CD2-CG2 4.03Å; W123-I164 HydrophobicContact CE3-CD1 4.09Å; W123-I164 HydrophobicContact CE3-CG1 4.43Å; W123-I164 HydrophobicContact CE3-CG2 4.17Å; W123-I164 HydrophobicContact CG-CG2 4.47Å; W123-I164 HydrophobicContact CZ2-CG2 4.46Å; W123-I164 HydrophobicContact CZ3-CG2 4.43Å; I157-I164 HydrophobicContact CB-CD1 4.17Å; I157-I164 HydrophobicContact CD1-CD1 3.85Å; I157-I164 HydrophobicContact CG2-CD1 3.63Å; A160-I164 HydrophobicContact CB-CD1 4.28Å; A160-I164 WeakPolarHBondContact O-CG1 3.46Å; A160-I164 PolarHBondContact O-N 3.4Å; F161-I164 PolarHBondContact O-N 3.38Å; I164-E166 PolarHBondContact O-N 3.24Å; I164-M167 HydrophobicContact CG2-CE 4.4Å; I164-M167 WeakPolarHBondContact O-CB 3.41Å; I164-M167 PolarHBondContact O-N 3.5Å; I164-L168 HydrophobicContact CG2-CD1 4.39Å; I164-L168 WeakPolarHBondContact O-CG 2.93Å; I164-L168 PolarHBondContact O-N 3.25Å; I164-L211 HydrophobicContact CB-CD1 4.44Å; I164-L211 HydrophobicContact CG1-CD1 3.96Å; I164-L213 HydrophobicContact CG1-CD1 4.45Å |
| 165 | V | 93.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.9 | -43.9 | 177.2 | 179.9 | 0 | 0 | 0 | 0 | 110.7 | I93 L114 F161 N162 M167 L168 T169 P189 N192 V193 L196 | I93-V165 HydrophobicContact CD1-CG1 4.21Å; I93-V165 HydrophobicContact CD1-CG2 3.63Å; L114-V165 HydrophobicContact CD1-CG2 4.18Å; F161-V165 HydrophobicContact CD2-CG2 3.74Å; F161-V165 HydrophobicContact CE1-CG2 4.34Å; F161-V165 HydrophobicContact CE2-CG2 3.35Å; F161-V165 HydrophobicContact CG-CG2 4.39Å; F161-V165 HydrophobicContact CZ-CG2 3.68Å; F161-V165 WeakPolarHBondContact O-CG2 3.39Å; F161-V165 PolarHBondContact O-N 3.38Å; N162-V165 PolarHBondContact O-N 2.73Å; V165-M167 VanDerWaalsContact C-N 3.29Å; V165-M167 PolarHBondContact O-N 3.25Å; V165-L168 PolarHBondContact O-N 3.45Å; V165-T169 WeakPolarHBondContact O-CG2 3.4Å; V165-T169 PolarHBondContact O-N 2.99Å; V165-T169 VanDerWaalsContact O-N 3.11Å; V165-P189 HydrophobicContact CB-CG 4.07Å; V165-P189 HydrophobicContact CG1-CG 4.33Å; V165-P189 HydrophobicContact CG2-CG 3.91Å; V165-N192 HydrophobicContact CB-CB 4.4Å; V165-N192 HydrophobicContact CG1-CB 3.81Å; V165-V193 HydrophobicContact CG1-CG2 3.99Å; V165-L196 HydrophobicContact CG1-CD2 4.39Å |
| 166 | E | 93.3 | Very high | 91.1 | Very high | 51 Ų | 51 | 28.2 Ų | 28.2 | 24% | 0.238 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -54.8 | -47.1 | 173.8 | -165.3 | -163.4 | 164.2 | 0 | 0 | 110.9 | N162 S163 I164 T169 Y170 K209 | N162-E166 WeakPolarHBondContact O-CB 3.29Å; N162-E166 PolarHBondContact O-N 3.43Å; S163-E166 PolarHBondContact O-N 3.21Å; I164-E166 PolarHBondContact O-N 3.24Å; E166-T169 WeakPolarHBondContact O-CB 3.48Å; E166-T169 PolarHBondContact O-N 2.93Å; E166-T169 PolarHBondContact O-OG1 3.11Å; E166-Y170 VanDerWaalsContact O-CD2 3.32Å; E166-Y170 WeakPolarHBondContact O-CD2 3.5Å; E166-K209 WeakPolarHBondContact OE1-CE 3.49Å; E166-K209 IonicContact OE1-NZ 2.69Å; E166-K209 PolarHBondContact OE1-NZ 3.19Å; E166-K209 IonicContact OE2-NZ 2.92Å; E166-K209 PolarHBondContact OE2-NZ 2.94Å; E166-K209 VanDerWaalsContact OE2-NZ 3.16Å |
| 167 | M | 93.2 | Very high | 91.2 | Very high | 3 Ų | 3 | 28.4 Ų | 28.4 | 2% | 0.015 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.1 | -42.4 | 177.9 | 179.3 | -85.8 | -63.9 | 0 | 0 | 112 | W123 S163 I164 V165 T169 Y170 K209 L211 A222 A224 | W123-M167 HydrophobicContact CH2-CE 3.56Å; W123-M167 HydrophobicContact CZ2-CE 4.03Å; W123-M167 HydrophobicContact CZ3-CE 4.28Å; S163-M167 WeakPolarHBondContact O-CB 3.33Å; S163-M167 PolarHBondContact O-N 2.65Å; I164-M167 HydrophobicContact CG2-CE 4.4Å; I164-M167 WeakPolarHBondContact O-CB 3.41Å; I164-M167 PolarHBondContact O-N 3.5Å; V165-M167 VanDerWaalsContact C-N 3.29Å; V165-M167 PolarHBondContact O-N 3.25Å; M167-T169 PolarHBondContact O-N 3.42Å; M167-Y170 WeakPolarHBondContact O-CA 3.36Å; M167-Y170 VanDerWaalsContact O-CB 3.31Å; M167-Y170 WeakPolarHBondContact O-CB 3.27Å; M167-Y170 PolarHBondContact O-N 3Å; M167-K209 HydrophobicContact CB-CB 4.46Å; M167-K209 HydrophobicContact CB-CG 4.1Å; M167-K209 HydrophobicContact CG-CB 4.31Å; M167-K209 HydrophobicContact CG-CG 4.36Å; M167-L211 HydrophobicContact CB-CD1 3.64Å; M167-L211 HydrophobicContact CB-CD2 4.42Å; M167-L211 HydrophobicContact CB-CG 3.92Å; M167-L211 HydrophobicContact CE-CD1 4Å; M167-L211 HydrophobicContact CG-CD1 4.02Å; M167-L211 HydrophobicContact CG-CG 4.09Å; M167-A222 HydrophobicContact CE-CB 3.78Å; M167-A224 HydrophobicContact CG-CB 3.86Å; M167-A224 VanDerWaalsContact O-CB 3.25Å; M167-A224 WeakPolarHBondContact O-CB 3.33Å; M167-A224 HydrophobicContact SD-CB 3.27Å; M167-A224 WeakPolarHBondContact SD-CB 3.19Å |
| 168 | L | 94.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.5 | -29 | 175.7 | -72.3 | 177.5 | 0 | 0 | 0 | 113 | Y95 L114 I164 V165 Y170 E171 A172 P173 L196 | Y95-L168 HydrophobicContact CD1-CD1 4.47Å; Y95-L168 HydrophobicContact CE1-CD1 3.81Å; Y95-L168 HydrophobicContact CE1-CD2 4.23Å; Y95-L168 HydrophobicContact CE2-CD2 4.21Å; L114-L168 HydrophobicContact CD1-CD1 3.5Å; I164-L168 HydrophobicContact CG2-CD1 4.39Å; I164-L168 WeakPolarHBondContact O-CG 2.93Å; I164-L168 PolarHBondContact O-N 3.25Å; V165-L168 PolarHBondContact O-N 3.45Å; L168-Y170 PolarHBondContact O-N 3.25Å; L168-Y170 VanDerWaalsContact O-N 3.15Å; L168-E171 WeakPolarHBondContact O-CB 3.29Å; L168-E171 PolarHBondContact O-N 3.09Å; L168-A172 PolarHBondContact O-N 3.39Å; L168-P173 WeakPolarHBondContact O-CD 2.82Å; L168-L196 HydrophobicContact CB-CD1 4.22Å |
| 169 | T | 93 | Very high | 92.1 | Very high | 5 Ų | 5 | 28.4 Ų | 28.4 | 3% | 0.031 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.4 | -23.9 | 173 | 76.6 | 0 | 0 | 0 | 0 | 112.2 | V165 E166 M167 D195 L196 R203 | V165-T169 WeakPolarHBondContact O-CG2 3.4Å; V165-T169 PolarHBondContact O-N 2.99Å; V165-T169 VanDerWaalsContact O-N 3.11Å; E166-T169 WeakPolarHBondContact O-CB 3.48Å; E166-T169 PolarHBondContact O-N 2.93Å; E166-T169 PolarHBondContact O-OG1 3.11Å; M167-T169 PolarHBondContact O-N 3.42Å; T169-D195 HydrophobicContact CG2-CB 4.3Å; T169-L196 HydrophobicContact CG2-CB 4.34Å; T169-L196 HydrophobicContact CG2-CD1 4.36Å; T169-R203 VanDerWaalsContact C-NH1 3.3Å; T169-R203 VanDerWaalsContact CB-NH2 3.26Å; T169-R203 PolarHBondContact O-NH1 3.09Å; T169-R203 PolarHBondContact OG1-NH2 3.16Å |
| 170 | Y | 91.4 | Very high | 92.9 | Very high | 23 Ų | 23 | 26.8 Ų | 26.8 | 9% | 0.09 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -81.4 | -23.2 | 173.9 | -69.4 | -106.7 | 0 | 0 | 0 | 112.3 | E166 M167 L168 P206 K209 K225 L226 | E166-Y170 VanDerWaalsContact O-CD2 3.32Å; E166-Y170 WeakPolarHBondContact O-CD2 3.5Å; M167-Y170 WeakPolarHBondContact O-CA 3.36Å; M167-Y170 VanDerWaalsContact O-CB 3.31Å; M167-Y170 WeakPolarHBondContact O-CB 3.27Å; M167-Y170 PolarHBondContact O-N 3Å; L168-Y170 PolarHBondContact O-N 3.25Å; L168-Y170 VanDerWaalsContact O-N 3.15Å; Y170-P206 HydrophobicContact CE1-CG 4.14Å; Y170-P206 WeakPolarHBondContact CE1-O 3.36Å; Y170-K209 HydrophobicContact CD1-CB 3.98Å; Y170-K209 HydrophobicContact CD2-CB 3.46Å; Y170-K209 VanDerWaalsContact CD2-CB 3.46Å; Y170-K209 HydrophobicContact CD2-CG 4.09Å; Y170-K209 HydrophobicContact CE1-CB 4.19Å; Y170-K209 HydrophobicContact CE2-CB 3.73Å; Y170-K209 HydrophobicContact CE2-CD 4Å; Y170-K209 HydrophobicContact CE2-CG 4.03Å; Y170-K209 HydrophobicContact CG-CB 3.6Å; Y170-K225 CarbonylContact O-C 3.49Å; Y170-L226 VanDerWaalsContact O-CA 3.25Å; Y170-L226 WeakPolarHBondContact O-CA 3.35Å; Y170-L226 WeakPolarHBondContact O-CD2 3.19Å; Y170-L226 WeakPolarHBondContact O-CG 3.44Å; Y170-L226 PolarHBondContact O-N 2.82Å |
| 171 | E | 91.1 | Very high | 93.3 | Very high | 6 Ų | 6 | 27 Ų | 27 | 3% | 0.028 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -77.3 | -31.3 | 170.2 | -178.2 | 174.4 | 157.3 | 0 | 0 | 111 | G110 L168 P173 A224 N300 G313 | G110-E171 WeakPolarHBondContact CA-OE1 3.45Å; L168-E171 WeakPolarHBondContact O-CB 3.29Å; L168-E171 PolarHBondContact O-N 3.09Å; E171-P173 HydrophobicContact CG-CB 4.34Å; E171-A224 HydrophobicContact CB-CB 3.78Å; E171-N300 PolarHBondContact OE1-ND2 2.88Å; E171-N300 PolarHBondContact OE2-ND2 2.69Å; E171-G313 WeakPolarHBondContact OE2-CA 3.15Å |
| 172 | A | 91.4 | Very high | 93 | Very high | 15 Ų | 15 | 29.7 Ų | 29.7 | 12% | 0.124 | 15% | 0.154 | C | C | . | . | trans | 50.6 | 53.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L108 L168 L226 | L108-A172 WeakPolarHBondContact CD2-O 3.46Å; L168-A172 PolarHBondContact O-N 3.39Å; A172-L226 HydrophobicContact CB-CD2 3.96Å | ||
| 173 | P | 94.7 | Very high | 92.2 | Very high | 12 Ų | 12 | 28.9 Ų | 28.9 | 8% | 0.078 | 16% | 0.162 | C | C | . | . | trans | -75 | 167.1 | -174.2 | 35.2 | -37.5 | 0 | 0 | 0 | 112.3 | Y95 L168 E171 I175 L196 | Y95-P173 HydrophobicContact CD2-CB 3.56Å; Y95-P173 HydrophobicContact CD2-CG 3.74Å; Y95-P173 HydrophobicContact CE2-CB 4.38Å; Y95-P173 HydrophobicContact CE2-CG 4.39Å; Y95-P173 HydrophobicContact CG-CB 4.02Å; Y95-P173 HydrophobicContact CG-CG 3.87Å; L168-P173 WeakPolarHBondContact O-CD 2.82Å; E171-P173 HydrophobicContact CG-CB 4.34Å; P173-I175 HydrophobicContact CG-CD1 3.92Å; P173-I175 PolarHBondContact O-N 3.15Å; P173-I175 VanDerWaalsContact O-N 3.09Å; P173-L196 HydrophobicContact CG-CD1 4.47Å | ||
| 174 | L | 95.2 | Very high | 90.7 | Very high | 43 Ų | 43 | 33.1 Ų | 33.1 | 23% | 0.225 | 19% | 0.187 | C | C | . | . | trans | -72.4 | 100.1 | 172 | -179.8 | 62.7 | 0 | 0 | 0 | 110.1 | Y95 N96 P99 V105 L108 Y176 | Y95-L174 CarbonylContact C-O 3.54Å; Y95-L174 WeakPolarHBondContact CA-O 3.14Å; Y95-L174 WeakPolarHBondContact CB-O 3.27Å; N96-L174 PolarHBondContact N-O 2.92Å; N96-L174 WeakPolarHBondContact O-CD2 3.44Å; P99-L174 HydrophobicContact CG-CD2 3.83Å; V105-L174 HydrophobicContact CB-CD2 4.03Å; V105-L174 HydrophobicContact CG2-CD2 3.66Å; L108-L174 HydrophobicContact CB-CB 4.01Å; L108-L174 HydrophobicContact CD1-CB 3.81Å; L108-L174 HydrophobicContact CD1-CD1 4.21Å; L174-Y176 PolarHBondContact O-N 3.12Å | ||
| 175 | I | 96 | Very high | 89.4 | Confident | 38 Ų | 38 | 34 Ų | 34 | 20% | 0.195 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 117.8 | 170.6 | -49.2 | -49.7 | 0 | 0 | 0 | 108.4 | I93 P173 L178 L196 | I93-I175 HydrophobicContact CG2-CD1 4.17Å; P173-I175 HydrophobicContact CG-CD1 3.92Å; P173-I175 PolarHBondContact O-N 3.15Å; P173-I175 VanDerWaalsContact O-N 3.09Å; I175-L178 HydrophobicContact CG2-CB 3.98Å; I175-L178 HydrophobicContact CG2-CD1 3.95Å; I175-L196 HydrophobicContact CD1-CD1 4.07Å; I175-L196 HydrophobicContact CD1-CD2 3.63Å; I175-L196 HydrophobicContact CD1-CG 3.66Å; I175-L196 HydrophobicContact CG1-CD1 4.47Å; I175-L196 HydrophobicContact CG1-CD2 4.15Å; I175-L196 HydrophobicContact CG1-CG 3.8Å |
| 176 | Y | 96.2 | Very high | 88.2 | Confident | 52 Ų | 52 | 41 Ų | 41 | 20% | 0.204 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | -21.5 | 179.9 | 75.1 | -90.6 | 0 | 0 | 0 | 113.1 | A94 N96 P99 P100 P132 L174 | A94-Y176 VanDerWaalsContact C-CE1 3.46Å; A94-Y176 HydrophobicContact CB-CD1 4.3Å; A94-Y176 HydrophobicContact CB-CE1 3.51Å; A94-Y176 HydrophobicContact CB-CE2 4.19Å; A94-Y176 VanDerWaalsContact CB-CZ 3.44Å; A94-Y176 WeakPolarHBondContact CB-OH 3.23Å; A94-Y176 WeakPolarHBondContact O-CD1 3.38Å; A94-Y176 PolarHBondContact O-N 2.83Å; N96-Y176 HydrophobicContact CB-CD1 3.89Å; N96-Y176 HydrophobicContact CB-CE1 3.77Å; P99-Y176 HydrophobicContact CB-CD1 4.32Å; P99-Y176 HydrophobicContact CB-CD2 4.07Å; P99-Y176 HydrophobicContact CB-CG 3.76Å; P99-Y176 HydrophobicContact CG-CD1 4.46Å; P99-Y176 HydrophobicContact CG-CG 4.1Å; P100-Y176 HydrophobicContact CG-CD2 4.28Å; P100-Y176 HydrophobicContact CG-CE2 3.87Å; P132-Y176 VanDerWaalsContact CD-OH 3.23Å; P132-Y176 WeakPolarHBondContact CD-OH 3.36Å; P132-Y176 WeakPolarHBondContact O-CE2 3.21Å; P132-Y176 PolarHBondContact O-OH 3.17Å; L174-Y176 PolarHBondContact O-N 3.12Å |
| 177 | F | 96.4 | Very high | 87.6 | Confident | 35 Ų | 35 | 43 Ų | 43 | 15% | 0.154 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 128.5 | 174.9 | -177.2 | -99 | 0 | 0 | 0 | 109.3 | I92 A94 L134 E135 K179 | I92-F177 HydrophobicContact CB-CD1 4.17Å; I92-F177 HydrophobicContact CB-CE1 3.89Å; I92-F177 HydrophobicContact CG1-CE1 4.24Å; I92-F177 HydrophobicContact CG2-CD1 3.61Å; I92-F177 HydrophobicContact CG2-CE1 3.75Å; A94-F177 HydrophobicContact CB-CB 4.12Å; A94-F177 PolarHBondContact N-O 2.81Å; A94-F177 PolarHBondContact O-N 3.11Å; L134-F177 HydrophobicContact CB-CD1 3.77Å; L134-F177 HydrophobicContact CB-CE1 3.91Å; L134-F177 HydrophobicContact CB-CG 4.3Å; L134-F177 VanDerWaalsContact O-CE1 3.3Å; L134-F177 WeakPolarHBondContact O-CE1 3.32Å; L134-F177 WeakPolarHBondContact O-CZ 3.23Å; E135-F177 HydrophobicContact CG-CD2 4.46Å; E135-F177 HydrophobicContact CG-CE2 4.47Å; F177-K179 HydrophobicContact CE1-CB 4.05Å; F177-K179 HydrophobicContact CZ-CB 4.18Å |
| 178 | L | 95.6 | Very high | 87.3 | Confident | 42 Ų | 42 | 43.7 Ų | 43.7 | 22% | 0.22 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 119.8 | -179.4 | -170.8 | 139.4 | 0 | 0 | 0 | 109.4 | I92 I93 I175 K180 V193 E197 | I92-L178 WeakPolarHBondContact O-CA 3.48Å; I93-L178 HydrophobicContact CG1-CD1 4.39Å; I175-L178 HydrophobicContact CG2-CB 3.98Å; I175-L178 HydrophobicContact CG2-CD1 3.95Å; L178-K180 HydrophobicContact CD2-CG 3.95Å; L178-V193 HydrophobicContact CD1-CG1 4.07Å; L178-V193 HydrophobicContact CD2-CG1 4.21Å; L178-E197 HydrophobicContact CD1-CG 3.66Å; L178-E197 HydrophobicContact CD2-CG 4.2Å; L178-E197 WeakPolarHBondContact CD2-OE1 3.46Å |
| 179 | K | 93.4 | Very high | 87.1 | Confident | 17 Ų | 17 | 44.1 Ų | 44.1 | 7% | 0.074 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 119.8 | 177.8 | -173.1 | 168.8 | -175.3 | 156.4 | 0 | 108.7 | Y73 K87 E88 G91 I92 D136 F177 | Y73-K179 WeakPolarHBondContact OH-CD 3.5Å; K87-K179 WeakPolarHBondContact O-CE 3.4Å; E88-K179 WeakPolarHBondContact OE1-CE 3.03Å; E88-K179 IonicContact OE1-NZ 2.78Å; E88-K179 PolarHBondContact OE1-NZ 2.97Å; G91-K179 CarbonylContact C-O 3.59Å; G91-K179 WeakPolarHBondContact CA-O 3.02Å; I92-K179 HydrophobicContact CB-CB 4.01Å; I92-K179 HydrophobicContact CG1-CB 4.23Å; I92-K179 PolarHBondContact N-O 2.71Å; I92-K179 PolarHBondContact O-N 3.13Å; D136-K179 IonicContact OD1-NZ 2.77Å; D136-K179 PolarHBondContact OD1-NZ 2.88Å; D136-K179 IonicContact OD2-NZ 3.4Å; F177-K179 HydrophobicContact CE1-CB 4.05Å; F177-K179 HydrophobicContact CZ-CB 4.18Å |
| 180 | K | 91.9 | Very high | 86.9 | Confident | 91 Ų | 91 | 50.9 Ų | 50.9 | 40% | 0.396 | 28% | 0.275 | S | S | . | . | P | Polyproline II helix | trans | -83.3 | 131.6 | 174 | -62.7 | 175.8 | -176.4 | 172.6 | 0 | 107.1 | L178 W188 E197 | L178-K180 HydrophobicContact CD2-CG 3.95Å; K180-W188 HydrophobicContact CG-CZ2 4.12Å; K180-E197 VanDerWaalsContact CE-OE2 3.27Å; K180-E197 WeakPolarHBondContact CE-OE2 3.43Å; K180-E197 IonicContact NZ-OE1 3.74Å; K180-E197 PolarHBondContact NZ-OE1 2.81Å; K180-E197 IonicContact NZ-OE2 2.79Å; K180-E197 PolarHBondContact NZ-OE2 3.02Å |
| 181 | P | 89.9 | Confident | 86.9 | Confident | 18 Ų | 18 | 56.8 Ų | 56.8 | 12% | 0.117 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 139.5 | 176 | 27.9 | -30.9 | 0 | 0 | 0 | 109.2 | E88 A89 N185 W188 | E88-P181 CarbonylContact O-C 3.11Å; E88-P181 WeakPolarHBondContact O-CA 3.29Å; A89-P181 WeakPolarHBondContact O-CB 3.35Å; P181-N185 HydrophobicContact CB-CB 4.11Å; P181-N185 HydrophobicContact CG-CB 3.92Å; P181-W188 HydrophobicContact CG-CB 4.09Å; P181-W188 HydrophobicContact CG-CD2 3.95Å; P181-W188 HydrophobicContact CG-CE3 3.76Å; P181-W188 HydrophobicContact CG-CG 4.1Å |
| 182 | T | 84.2 | Confident | 87 | Confident | 60 Ų | 60 | 57.6 Ų | 57.6 | 37% | 0.368 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -94.7 | 152.6 | 170.6 | 66.1 | 0 | 0 | 0 | 0 | 110 | M84 E88 | M84-T182 VanDerWaalsContact SD-O 3.35Å; E88-T182 WeakPolarHBondContact CB-OG1 3.4Å; E88-T182 PolarHBondContact O-N 3.31Å; E88-T182 PolarHBondContact O-OG1 2.79Å; E88-T182 VanDerWaalsContact OE2-CG2 3.32Å; E88-T182 WeakPolarHBondContact OE2-CG2 3.43Å |
| 183 | G | 74 | Confident | 87.1 | Confident | 56 Ų | 56 | 56.9 Ų | 56.9 | 58% | 0.577 | 30% | 0.3 | S | S | * | . | S | Bend | trans | 98.4 | -151.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | N185 | G183-N185 VanDerWaalsContact C-N 3.32Å; G183-N185 PolarHBondContact O-N 2.8Å |
| 184 | T | 61.8 | Low | 87 | Confident | 128 Ų | 128 | 60.3 Ų | 60.3 | 79% | 0.785 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -89.8 | 27.8 | -171.1 | 51.9 | 0 | 0 | 0 | 0 | 114.3 | N186 | T184-N186 PolarHBondContact O-N 2.84Š|
| 185 | N | 67.3 | Low | 86.7 | Confident | 19 Ų | 19 | 61 Ų | 61 | 10% | 0.102 | 32% | 0.319 | C | S | . | . | trans | -75.1 | 82 | 172.8 | -172.5 | -20.3 | 0 | 0 | 0 | 110 | P117 P181 G183 N187 W188 | P117-N185 PolarHBondContact O-ND2 2.99Å; P181-N185 HydrophobicContact CB-CB 4.11Å; P181-N185 HydrophobicContact CG-CB 3.92Å; G183-N185 VanDerWaalsContact C-N 3.32Å; G183-N185 PolarHBondContact O-N 2.8Å; N185-N187 PolarHBondContact O-N 3.38Å; N185-N187 PolarHBondContact OD1-N 2.95Å; N185-N187 VanDerWaalsContact OD1-N 3.14Å; N185-W188 PolarHBondContact O-N 2.92Å; N185-W188 PolarHBondContact OD1-N 3Å | ||
| 186 | N | 68.5 | Low | 86.5 | Confident | 146 Ų | 146 | 59.5 Ų | 59.5 | 78% | 0.781 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -9.7 | 177.6 | -70.6 | -26 | 0 | 0 | 0 | 113 | T184 | T184-N186 PolarHBondContact O-N 2.84Š|
| 187 | N | 79.7 | Confident | 86.2 | Confident | 93 Ų | 93 | 61.4 Ų | 61.4 | 50% | 0.497 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -1.8 | -177.2 | -63.7 | -40.4 | 0 | 0 | 0 | 113.1 | N185 P189 | N185-N187 PolarHBondContact O-N 3.38Å; N185-N187 PolarHBondContact OD1-N 2.95Å; N185-N187 VanDerWaalsContact OD1-N 3.14Å; N187-P189 WeakPolarHBondContact O-CD 3.46Å |
| 188 | W | 87.4 | Confident | 85.7 | Confident | 18 Ų | 18 | 67.3 Ų | 67.3 | 7% | 0.068 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -67.1 | 122.1 | 174.8 | -173.5 | -104 | 0 | 0 | 0 | 111 | G91 I93 F161 K180 P181 N185 K190 V193 | G91-W188 VanDerWaalsContact CA-CZ3 3.41Å; I93-W188 HydrophobicContact CD1-CH2 4.03Å; I93-W188 HydrophobicContact CD1-CZ2 4.48Å; I93-W188 HydrophobicContact CG1-CH2 3.72Å; I93-W188 HydrophobicContact CG1-CZ2 4.35Å; F161-W188 HydrophobicContact CE1-CD2 4.26Å; F161-W188 AromaticContact CE1-CE3 3.42Å; F161-W188 HydrophobicContact CE1-CE3 3.42Å; F161-W188 VanDerWaalsContact CE1-CE3 3.42Å; F161-W188 HydrophobicContact CE1-CH2 4.41Å; F161-W188 AromaticContact CE1-CZ3 3.49Å; F161-W188 HydrophobicContact CE1-CZ3 3.49Å; F161-W188 VanDerWaalsContact CE1-CZ3 3.49Å; F161-W188 AromaticContact CZ-CE3 3.87Å; F161-W188 HydrophobicContact CZ-CE3 3.87Å; F161-W188 HydrophobicContact CZ-CH2 4.03Å; F161-W188 AromaticContact CZ-CZ3 3.4Å; F161-W188 HydrophobicContact CZ-CZ3 3.4Å; K180-W188 HydrophobicContact CG-CZ2 4.12Å; P181-W188 HydrophobicContact CG-CB 4.09Å; P181-W188 HydrophobicContact CG-CD2 3.95Å; P181-W188 HydrophobicContact CG-CE3 3.76Å; P181-W188 HydrophobicContact CG-CG 4.1Å; N185-W188 PolarHBondContact O-N 2.92Å; N185-W188 PolarHBondContact OD1-N 3Å; W188-K190 PolarHBondContact O-N 2.82Å; W188-V193 HydrophobicContact CD2-CG2 4.49Å; W188-V193 HydrophobicContact CH2-CG2 4.4Å; W188-V193 HydrophobicContact CZ2-CB 4.33Å; W188-V193 HydrophobicContact CZ2-CG1 3.82Å; W188-V193 HydrophobicContact CZ2-CG2 3.64Å |
| 189 | P | 89.2 | Confident | 84.7 | Confident | 10 Ų | 10 | 67 Ų | 67 | 7% | 0.065 | 35% | 0.354 | C | S | . | . | trans | -80.5 | 69.1 | -173.2 | 31.4 | -31 | 0 | 0 | 0 | 111.4 | F161 N162 V165 N187 K191 N192 V193 | F161-P189 VanDerWaalsContact CD1-CD 3.43Å; F161-P189 HydrophobicContact CD1-CG 3.79Å; F161-P189 HydrophobicContact CE1-CG 3.6Å; F161-P189 HydrophobicContact CZ-CG 4.22Å; N162-P189 HydrophobicContact CB-CB 3.87Å; N162-P189 WeakPolarHBondContact OD1-CB 3.39Å; V165-P189 HydrophobicContact CB-CG 4.07Å; V165-P189 HydrophobicContact CG1-CG 4.33Å; V165-P189 HydrophobicContact CG2-CG 3.91Å; N187-P189 WeakPolarHBondContact O-CD 3.46Å; P189-K191 VanDerWaalsContact C-N 3.34Å; P189-K191 PolarHBondContact O-N 3.21Å; P189-K191 VanDerWaalsContact O-N 3.16Å; P189-N192 HydrophobicContact CB-CB 4.44Å; P189-N192 PolarHBondContact O-N 2.81Å; P189-N192 VanDerWaalsContact O-N 3.09Å; P189-V193 HydrophobicContact CG-CG2 3.95Å; P189-V193 WeakPolarHBondContact O-CB 3.15Å; P189-V193 WeakPolarHBondContact O-CG2 3.46Å; P189-V193 PolarHBondContact O-N 2.78Å | ||
| 190 | K | 90.4 | Very high | 83.2 | Confident | 146 Ų | 146 | 68.9 Ų | 68.9 | 64% | 0.635 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -43.4 | -53.7 | -171.6 | -67.3 | 178.8 | -177.9 | -179.9 | 0 | 113.2 | W188 V193 E194 | W188-K190 PolarHBondContact O-N 2.82Å; K190-V193 PolarHBondContact O-N 2.81Å; K190-E194 VanDerWaalsContact O-CG 3.3Å; K190-E194 WeakPolarHBondContact O-CG 3.27Å; K190-E194 PolarHBondContact O-N 3.22Å |
| 191 | K | 91.7 | Very high | 81.6 | Confident | 148 Ų | 148 | 68.2 Ų | 68.2 | 64% | 0.643 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -61.8 | -50.3 | -178.5 | -174.7 | -171.5 | 174.4 | -170.8 | 0 | 112.9 | P189 V193 E194 D195 | P189-K191 VanDerWaalsContact C-N 3.34Å; P189-K191 PolarHBondContact O-N 3.21Å; P189-K191 VanDerWaalsContact O-N 3.16Å; K191-V193 VanDerWaalsContact C-N 3.26Å; K191-V193 PolarHBondContact O-N 3.26Å; K191-E194 PolarHBondContact O-N 3.39Å; K191-D195 PolarHBondContact O-N 2.89Å |
| 192 | N | 92.5 | Very high | 80.2 | Confident | 23 Ų | 23 | 76 Ų | 76 | 12% | 0.123 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -68.4 | -30.8 | -177.5 | -69.9 | -27.9 | 0 | 0 | 0 | 111.5 | N162 V165 P189 L196 | N162-N192 PolarHBondContact OD1-ND2 2.89Å; V165-N192 HydrophobicContact CB-CB 4.4Å; V165-N192 HydrophobicContact CG1-CB 3.81Å; P189-N192 HydrophobicContact CB-CB 4.44Å; P189-N192 PolarHBondContact O-N 2.81Å; P189-N192 VanDerWaalsContact O-N 3.09Å; N192-L196 WeakPolarHBondContact O-CB 3.01Å; N192-L196 PolarHBondContact O-N 3.29Å |
| 193 | V | 93.2 | Very high | 79.6 | Confident | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -66.3 | -46.2 | 172 | 168.2 | 0 | 0 | 0 | 0 | 111.1 | I93 V165 L178 W188 P189 K190 K191 D195 L196 E197 | I93-V193 HydrophobicContact CD1-CG2 3.99Å; V165-V193 HydrophobicContact CG1-CG2 3.99Å; L178-V193 HydrophobicContact CD1-CG1 4.07Å; L178-V193 HydrophobicContact CD2-CG1 4.21Å; W188-V193 HydrophobicContact CD2-CG2 4.49Å; W188-V193 HydrophobicContact CH2-CG2 4.4Å; W188-V193 HydrophobicContact CZ2-CB 4.33Å; W188-V193 HydrophobicContact CZ2-CG1 3.82Å; W188-V193 HydrophobicContact CZ2-CG2 3.64Å; P189-V193 HydrophobicContact CG-CG2 3.95Å; P189-V193 WeakPolarHBondContact O-CB 3.15Å; P189-V193 WeakPolarHBondContact O-CG2 3.46Å; P189-V193 PolarHBondContact O-N 2.78Å; K190-V193 PolarHBondContact O-N 2.81Å; K191-V193 VanDerWaalsContact C-N 3.26Å; K191-V193 PolarHBondContact O-N 3.26Å; V193-D195 VanDerWaalsContact C-N 3.31Å; V193-D195 PolarHBondContact O-N 3.46Å; V193-L196 WeakPolarHBondContact O-CB 3.06Å; V193-L196 PolarHBondContact O-N 2.89Å; V193-L196 VanDerWaalsContact O-N 3.11Å; V193-E197 WeakPolarHBondContact O-CG 3.36Å; V193-E197 PolarHBondContact O-N 3.14Å |
| 194 | E | 92.2 | Very high | 79.2 | Confident | 84 Ų | 84 | 77.8 Ų | 77.8 | 39% | 0.393 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -61.3 | -39.3 | 175.4 | -73.9 | 169 | -165.5 | 0 | 0 | 112.1 | K190 K191 L196 E197 K198 | K190-E194 VanDerWaalsContact O-CG 3.3Å; K190-E194 WeakPolarHBondContact O-CG 3.27Å; K190-E194 PolarHBondContact O-N 3.22Å; K191-E194 PolarHBondContact O-N 3.39Å; E194-L196 VanDerWaalsContact C-N 3.3Å; E194-L196 PolarHBondContact O-N 2.77Å; E194-E197 PolarHBondContact O-N 3.07Å; E194-K198 WeakPolarHBondContact O-CB 3.12Å; E194-K198 VanDerWaalsContact O-CG 3.29Å; E194-K198 WeakPolarHBondContact O-CG 3.16Å; E194-K198 PolarHBondContact O-N 2.86Å |
| 195 | D | 90.2 | Very high | 80.1 | Confident | 56 Ų | 56 | 76.8 Ų | 76.8 | 30% | 0.299 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -66 | -33.8 | 175 | -72.8 | -15.2 | 0 | 0 | 0 | 111.7 | T169 K191 V193 G199 | T169-D195 HydrophobicContact CG2-CB 4.3Å; K191-D195 PolarHBondContact O-N 2.89Å; V193-D195 VanDerWaalsContact C-N 3.31Å; V193-D195 PolarHBondContact O-N 3.46Å; D195-G199 PolarHBondContact O-N 3.03Å |
| 196 | L | 90.8 | Very high | 81 | Confident | 8 Ų | 8 | 79.3 Ų | 79.3 | 4% | 0.042 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -71.1 | -42.1 | 175.2 | -166.4 | 67.9 | 0 | 0 | 0 | 111.7 | I93 V165 L168 T169 P173 I175 N192 V193 E194 G199 | I93-L196 HydrophobicContact CD1-CD2 4.39Å; I93-L196 HydrophobicContact CG2-CD2 3.68Å; V165-L196 HydrophobicContact CG1-CD2 4.39Å; L168-L196 HydrophobicContact CB-CD1 4.22Å; T169-L196 HydrophobicContact CG2-CB 4.34Å; T169-L196 HydrophobicContact CG2-CD1 4.36Å; P173-L196 HydrophobicContact CG-CD1 4.47Å; I175-L196 HydrophobicContact CD1-CD1 4.07Å; I175-L196 HydrophobicContact CD1-CD2 3.63Å; I175-L196 HydrophobicContact CD1-CG 3.66Å; I175-L196 HydrophobicContact CG1-CD1 4.47Å; I175-L196 HydrophobicContact CG1-CD2 4.15Å; I175-L196 HydrophobicContact CG1-CG 3.8Å; N192-L196 WeakPolarHBondContact O-CB 3.01Å; N192-L196 PolarHBondContact O-N 3.29Å; V193-L196 WeakPolarHBondContact O-CB 3.06Å; V193-L196 PolarHBondContact O-N 2.89Å; V193-L196 VanDerWaalsContact O-N 3.11Å; E194-L196 VanDerWaalsContact C-N 3.3Å; E194-L196 PolarHBondContact O-N 2.77Å; L196-G199 PolarHBondContact O-N 2.79Å |
| 197 | E | 89.9 | Confident | 81.9 | Confident | 91 Ų | 91 | 76 Ų | 76 | 43% | 0.425 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.4 | -43.2 | 175.8 | -74.6 | 176.7 | 112.4 | 0 | 0 | 112.2 | L178 K180 V193 E194 G199 | L178-E197 HydrophobicContact CD1-CG 3.66Å; L178-E197 HydrophobicContact CD2-CG 4.2Å; L178-E197 WeakPolarHBondContact CD2-OE1 3.46Å; K180-E197 VanDerWaalsContact CE-OE2 3.27Å; K180-E197 WeakPolarHBondContact CE-OE2 3.43Å; K180-E197 IonicContact NZ-OE1 3.74Å; K180-E197 PolarHBondContact NZ-OE1 2.81Å; K180-E197 IonicContact NZ-OE2 2.79Å; K180-E197 PolarHBondContact NZ-OE2 3.02Å; V193-E197 WeakPolarHBondContact O-CG 3.36Å; V193-E197 PolarHBondContact O-N 3.14Å; E194-E197 PolarHBondContact O-N 3.07Å; E197-G199 PolarHBondContact O-N 3.18Å |
| 198 | K | 86 | Confident | 82.3 | Confident | 160 Ų | 160 | 72.2 Ų | 72.2 | 70% | 0.696 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -18.4 | 178.1 | -72.9 | 169.6 | -172.4 | 164.7 | 0 | 113 | E194 | E194-K198 WeakPolarHBondContact O-CB 3.12Å; E194-K198 VanDerWaalsContact O-CG 3.29Å; E194-K198 WeakPolarHBondContact O-CG 3.16Å; E194-K198 PolarHBondContact O-N 2.86Å |
| 199 | G | 73.8 | Confident | 82.5 | Confident | 34 Ų | 34 | 73.9 Ų | 73.9 | 35% | 0.351 | 38% | 0.384 | S | S | . | . | trans | 73.4 | 170.3 | -167.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | D195 L196 E197 A201 | D195-G199 PolarHBondContact O-N 3.03Å; L196-G199 PolarHBondContact O-N 2.79Å; E197-G199 PolarHBondContact O-N 3.18Å; G199-A201 PolarHBondContact O-N 2.82Å | ||
| 200 | S | 63.8 | Low | 82.6 | Confident | 57 Ų | 57 | 78.6 Ų | 78.6 | 40% | 0.399 | 40% | 0.402 | S | S | . | . | trans | -61.5 | 104.5 | -173.7 | 65.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 201 | A | 56.7 | Low | 82.7 | Confident | 77 Ų | 77 | 72.5 Ų | 72.5 | 64% | 0.636 | 38% | 0.376 | S | S | * | . | trans | -56.1 | 149 | 158.1 | 0 | 0 | 0 | 0 | 0 | 109 | G199 R203 | G199-A201 PolarHBondContact O-N 2.82Å; A201-R203 PolarHBondContact O-N 2.92Å | ||
| 202 | F | 60.9 | Low | 82.7 | Confident | 182 Ų | 182 | 70.4 Ų | 70.4 | 80% | 0.798 | 37% | 0.372 | S | S | * | . | trans | -47.7 | 108.9 | 173.2 | -179 | -97.4 | 0 | 0 | 0 | 110 | V204 | F202-V204 HydrophobicContact CD1-CG2 4.11Å; F202-V204 HydrophobicContact CE1-CG2 3.74Å | ||
| 203 | R | 71.2 | Confident | 82.7 | Confident | 53 Ų | 53 | 71 Ų | 71 | 20% | 0.2 | 37% | 0.374 | C | S | . | . | trans | -94.8 | 138.9 | 173.1 | -69.5 | -154 | 177 | 104.1 | 0.9 | 109.3 | T169 A201 Y207 L226 | T169-R203 VanDerWaalsContact C-NH1 3.3Å; T169-R203 VanDerWaalsContact CB-NH2 3.26Å; T169-R203 PolarHBondContact O-NH1 3.09Å; T169-R203 PolarHBondContact OG1-NH2 3.16Å; A201-R203 PolarHBondContact O-N 2.92Å; R203-Y207 VanDerWaalsContact O-CE1 3.25Å; R203-Y207 WeakPolarHBondContact O-CE1 3.15Å; R203-L226 HydrophobicContact CB-CD1 3.83Å; R203-L226 HydrophobicContact CG-CD1 3.89Å | ||
| 204 | V | 67 | Low | 82.6 | Confident | 101 Ų | 101 | 80 Ų | 80 | 61% | 0.612 | 41% | 0.414 | S | S | * | . | trans | -92.2 | -40.7 | 179.1 | -178.1 | 0 | 0 | 0 | 0 | 111.4 | F202 Y207 | F202-V204 HydrophobicContact CD1-CG2 4.11Å; F202-V204 HydrophobicContact CE1-CG2 3.74Å; V204-Y207 WeakPolarHBondContact O-CE1 3.14Å; V204-Y207 PolarHBondContact O-OH 2.94Å | ||
| 205 | T | 80.3 | Confident | 82.4 | Confident | 107 Ų | 107 | 78 Ų | 78 | 66% | 0.656 | 41% | 0.405 | S | S | * | . | S | Bend | trans | 171.2 | 151.9 | 170.9 | 178.8 | 0 | 0 | 0 | 0 | 107.5 | ||
| 206 | P | 85.6 | Confident | 82.2 | Confident | 71 Ų | 71 | 80.3 Ų | 80.3 | 46% | 0.461 | 43% | 0.426 | S | S | . | . | cis | -66.3 | 152.9 | -4.8 | 29 | -33.6 | 0 | 0 | 0 | 112.5 | Y170 | Y170-P206 HydrophobicContact CE1-CG 4.14Å; Y170-P206 WeakPolarHBondContact CE1-O 3.36Å | ||
| 207 | Y | 87.6 | Confident | 82.1 | Confident | 78 Ų | 78 | 82 Ų | 82 | 31% | 0.306 | 44% | 0.438 | S | S | . | . | trans | -97.1 | -1.2 | 174.7 | -59 | -63.4 | 0 | 0 | 0 | 113.1 | R203 V204 K225 L226 Q228 A229 | R203-Y207 VanDerWaalsContact O-CE1 3.25Å; R203-Y207 WeakPolarHBondContact O-CE1 3.15Å; V204-Y207 WeakPolarHBondContact O-CE1 3.14Å; V204-Y207 PolarHBondContact O-OH 2.94Å; Y207-K225 WeakPolarHBondContact O-CA 3.36Å; Y207-L226 PolarHBondContact O-N 3.5Å; Y207-Q228 HydrophobicContact CD1-CB 3.5Å; Y207-Q228 VanDerWaalsContact CD1-CB 3.5Å; Y207-Q228 HydrophobicContact CD1-CG 4.43Å; Y207-Q228 HydrophobicContact CE1-CB 3.5Å; Y207-Q228 HydrophobicContact CE1-CG 4.18Å; Y207-Q228 HydrophobicContact CG-CB 4.01Å; Y207-A229 VanDerWaalsContact CB-CA 3.47Å | ||
| 208 | A | 89.2 | Confident | 82.3 | Confident | 12 Ų | 12 | 78.1 Ų | 78.1 | 10% | 0.099 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 153 | 179 | 0 | 0 | 0 | 0 | 0 | 111.1 | F223 A224 K225 L231 | A208-F223 HydrophobicContact CB-CD2 4.41Å; A208-F223 HydrophobicContact CB-CE2 3.5Å; A208-F223 VanDerWaalsContact CB-CE2 3.5Å; A208-F223 HydrophobicContact CB-CZ 4.06Å; A208-A224 CarbonylContact C-O 3.53Å; A208-A224 VanDerWaalsContact CA-O 3.22Å; A208-A224 WeakPolarHBondContact CA-O 3.31Å; A208-A224 WeakPolarHBondContact CB-O 3.29Å; A208-K225 HydrophobicContact CB-CB 3.95Å; A208-L231 HydrophobicContact CB-CD1 4.28Å |
| 209 | K | 91.2 | Very high | 82.7 | Confident | 54 Ų | 54 | 71.7 Ų | 71.7 | 24% | 0.235 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 140.3 | -177.6 | -172.1 | 77.7 | 178.6 | -157.9 | 0 | 109.9 | E166 M167 Y170 F223 A224 | E166-K209 WeakPolarHBondContact OE1-CE 3.49Å; E166-K209 IonicContact OE1-NZ 2.69Å; E166-K209 PolarHBondContact OE1-NZ 3.19Å; E166-K209 IonicContact OE2-NZ 2.92Å; E166-K209 PolarHBondContact OE2-NZ 2.94Å; E166-K209 VanDerWaalsContact OE2-NZ 3.16Å; M167-K209 HydrophobicContact CB-CB 4.46Å; M167-K209 HydrophobicContact CB-CG 4.1Å; M167-K209 HydrophobicContact CG-CB 4.31Å; M167-K209 HydrophobicContact CG-CG 4.36Å; Y170-K209 HydrophobicContact CD1-CB 3.98Å; Y170-K209 HydrophobicContact CD2-CB 3.46Å; Y170-K209 VanDerWaalsContact CD2-CB 3.46Å; Y170-K209 HydrophobicContact CD2-CG 4.09Å; Y170-K209 HydrophobicContact CE1-CB 4.19Å; Y170-K209 HydrophobicContact CE2-CB 3.73Å; Y170-K209 HydrophobicContact CE2-CD 4Å; Y170-K209 HydrophobicContact CE2-CG 4.03Å; Y170-K209 HydrophobicContact CG-CB 3.6Å; K209-F223 WeakPolarHBondContact O-CA 3.43Å; K209-A224 PolarHBondContact N-O 2.77Å; K209-A224 PolarHBondContact O-N 2.88Å |
| 210 | Y | 90.7 | Very high | 83.6 | Confident | 109 Ų | 109 | 70.1 Ų | 70.1 | 43% | 0.427 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 142.8 | -179.1 | -52.6 | -79.4 | 0 | 0 | 0 | 109.6 | A222 F223 F237 | Y210-A222 CarbonylContact C-O 3.45Å; Y210-A222 WeakPolarHBondContact CA-O 3.26Å; Y210-F223 HydrophobicContact CD1-CB 4.22Å; Y210-F223 AromaticContact CD1-CD2 3.37Å; Y210-F223 HydrophobicContact CD1-CD2 3.37Å; Y210-F223 HydrophobicContact CD1-CE2 4.06Å; Y210-F223 HydrophobicContact CD1-CG 4.21Å; Y210-F223 HydrophobicContact CE1-CB 4.47Å; Y210-F223 AromaticContact CE1-CD2 2.98Å; Y210-F223 HydrophobicContact CE1-CD2 2.98Å; Y210-F223 AromaticContact CE1-CE2 3.2Å; Y210-F223 HydrophobicContact CE1-CE2 3.2Å; Y210-F223 AromaticContact CE1-CG 4Å; Y210-F223 HydrophobicContact CE1-CG 4Å; Y210-F223 HydrophobicContact CE1-CZ 4.4Å; Y210-F223 HydrophobicContact CG-CD2 4.37Å; Y210-F223 AromaticContact CZ-CD2 3.78Å; Y210-F223 AromaticContact CZ-CE2 3.56Å; Y210-F237 HydrophobicContact CD1-CB 3.36Å; Y210-F237 HydrophobicContact CD1-CD1 4.33Å; Y210-F237 HydrophobicContact CD1-CD2 4.2Å; Y210-F237 AromaticContact CD1-CG 3.74Å; Y210-F237 HydrophobicContact CD1-CG 3.74Å; Y210-F237 HydrophobicContact CE1-CB 3.15Å; Y210-F237 HydrophobicContact CE1-CD1 4.03Å; Y210-F237 AromaticContact CE1-CG 3.73Å; Y210-F237 HydrophobicContact CE1-CG 3.73Å; Y210-F237 HydrophobicContact CG-CB 4.47Å |
| 211 | L | 92.1 | Very high | 85.1 | Confident | 18 Ų | 18 | 69.2 Ų | 69.2 | 9% | 0.094 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 142.1 | 172.6 | -61.4 | -180 | 0 | 0 | 0 | 109.5 | S163 I164 M167 K221 A222 | S163-L211 WeakPolarHBondContact O-CD1 3.5Å; I164-L211 HydrophobicContact CB-CD1 4.44Å; I164-L211 HydrophobicContact CG1-CD1 3.96Å; M167-L211 HydrophobicContact CB-CD1 3.64Å; M167-L211 HydrophobicContact CB-CD2 4.42Å; M167-L211 HydrophobicContact CB-CG 3.92Å; M167-L211 HydrophobicContact CE-CD1 4Å; M167-L211 HydrophobicContact CG-CD1 4.02Å; M167-L211 HydrophobicContact CG-CG 4.09Å; L211-K221 CarbonylContact O-C 3.54Å; L211-K221 VanDerWaalsContact O-CA 3.24Å; L211-K221 WeakPolarHBondContact O-CA 3.12Å; L211-A222 HydrophobicContact CB-CB 4.29Å; L211-A222 PolarHBondContact N-O 2.73Å; L211-A222 PolarHBondContact O-N 2.95Å |
| 212 | D | 91.9 | Very high | 86.8 | Confident | 103 Ų | 103 | 65.5 Ų | 65.5 | 55% | 0.551 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 108.7 | 173.3 | -164 | -8.8 | 0 | 0 | 0 | 107.7 | T219 K221 | D212-T219 WeakPolarHBondContact OD1-CG2 3.28Å; D212-K221 IonicContact OD1-NZ 3.68Å; D212-K221 PolarHBondContact OD1-NZ 3.33Å; D212-K221 IonicContact OD2-NZ 3Å; D212-K221 PolarHBondContact OD2-NZ 2.86Å |
| 213 | L | 91.9 | Very high | 88.3 | Confident | 35 Ų | 35 | 57 Ų | 57 | 18% | 0.183 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 112.6 | -170.1 | -59.1 | 173.6 | 0 | 0 | 0 | 108.8 | A160 I164 L220 | A160-L213 HydrophobicContact CB-CD1 3.3Å; A160-L213 HydrophobicContact CB-CD2 3.79Å; A160-L213 HydrophobicContact CB-CG 4.15Å; I164-L213 HydrophobicContact CG1-CD1 4.45Å; L213-L220 HydrophobicContact CB-CB 4.31Å; L213-L220 HydrophobicContact CD1-CD2 3.98Å; L213-L220 HydrophobicContact CG-CD2 4.47Å; L213-L220 PolarHBondContact N-O 2.81Å; L213-L220 PolarHBondContact O-N 3.06Å |
| 214 | K | 91.2 | Very high | 89.3 | Confident | 190 Ų | 190 | 54.5 Ų | 54.5 | 83% | 0.826 | 29% | 0.29 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 122.9 | 174.5 | -168.2 | 173.3 | -177.6 | 179.8 | 0 | 109.6 | ||
| 215 | M | 89.4 | Confident | 90.3 | Very high | 41 Ų | 41 | 49.7 Ų | 49.7 | 20% | 0.202 | 26% | 0.26 | C | S | . | . | trans | -118.6 | 173.8 | 179.8 | -51.3 | -172.4 | 68.2 | 0 | 0 | 110.5 | V155 K156 L218 L220 | V155-M215 HydrophobicContact CG1-SD 4.23Å; K156-M215 WeakPolarHBondContact O-CE 3.16Å; M215-L218 CarbonylContact C-O 3.54Å; M215-L218 WeakPolarHBondContact CA-O 3.3Å; M215-L218 HydrophobicContact CB-CD1 4.36Å; M215-L218 VanDerWaalsContact CB-O 3.27Å; M215-L218 WeakPolarHBondContact CB-O 3.29Å; M215-L218 HydrophobicContact CG-CD1 4.29Å; M215-L218 PolarHBondContact N-O 2.87Å; M215-L218 HydrophobicContact SD-CD1 3.87Å; M215-L220 HydrophobicContact SD-CB 4.35Å | ||
| 216 | S | 85.3 | Confident | 90.7 | Very high | 106 Ų | 106 | 44.6 Ų | 44.6 | 74% | 0.741 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -56.2 | -52.7 | 177.5 | 39.2 | 0 | 0 | 0 | 0 | 112.7 | D33 | D33-S216 PolarHBondContact OD2-OG 2.9Š|
| 217 | S | 88.5 | Confident | 90.6 | Very high | 43 Ų | 43 | 43.9 Ų | 43.9 | 30% | 0.301 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -100.2 | -13 | -171.1 | 71.9 | 0 | 0 | 0 | 0 | 114.9 | D33 N319 | D33-S217 VanDerWaalsContact CB-OG 3.29Å; D33-S217 WeakPolarHBondContact CB-OG 3.44Å; D33-S217 WeakPolarHBondContact OD2-CB 3.25Å; D33-S217 PolarHBondContact OD2-OG 3.42Å; S217-N319 PolarHBondContact O-ND2 2.9Å |
| 218 | L | 93.6 | Very high | 90.2 | Very high | 9 Ų | 9 | 44.4 Ų | 44.4 | 5% | 0.047 | 23% | 0.23 | C | C | . | . | trans | -159.8 | 168.3 | -174.7 | 60.1 | 80 | 0 | 0 | 0 | 111.8 | W34 V155 M215 L220 L317 N319 | W34-L218 HydrophobicContact CB-CD2 4.02Å; W34-L218 HydrophobicContact CG-CD2 3.85Å; V155-L218 HydrophobicContact CG1-CD1 4.5Å; V155-L218 HydrophobicContact CG1-CD2 4.42Å; M215-L218 CarbonylContact C-O 3.54Å; M215-L218 WeakPolarHBondContact CA-O 3.3Å; M215-L218 HydrophobicContact CB-CD1 4.36Å; M215-L218 VanDerWaalsContact CB-O 3.27Å; M215-L218 WeakPolarHBondContact CB-O 3.29Å; M215-L218 HydrophobicContact CG-CD1 4.29Å; M215-L218 PolarHBondContact N-O 2.87Å; M215-L218 HydrophobicContact SD-CD1 3.87Å; L218-L220 HydrophobicContact CD1-CB 3.87Å; L218-L317 HydrophobicContact CD1-CD2 3.93Å; L218-L317 HydrophobicContact CD2-CD1 4.36Å; L218-L317 HydrophobicContact CD2-CD2 4.08Å; L218-N319 HydrophobicContact CB-CB 4.17Å | ||
| 219 | T | 94.2 | Very high | 89.5 | Confident | 26 Ų | 26 | 44.7 Ų | 44.7 | 16% | 0.16 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 123.6 | 161.6 | -58.9 | 0 | 0 | 0 | 0 | 108.7 | D212 K221 L317 E318 | D212-T219 WeakPolarHBondContact OD1-CG2 3.28Å; T219-K221 HydrophobicContact CG2-CG 4.39Å; T219-L317 WeakPolarHBondContact O-CA 3.01Å; T219-E318 PolarHBondContact N-O 3.26Å; T219-E318 PolarHBondContact O-N 3.14Å |
| 220 | L | 94.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 124.6 | 175.2 | 179.6 | 163.6 | 0 | 0 | 0 | 108.5 | W123 V155 L213 M215 L218 A222 L315 C316 L317 | W123-L220 HydrophobicContact CE3-CD1 4.2Å; W123-L220 HydrophobicContact CZ3-CD1 4.26Å; W123-L220 HydrophobicContact CZ3-CD2 4.42Å; V155-L220 HydrophobicContact CB-CD1 4.46Å; V155-L220 HydrophobicContact CG1-CD1 4.06Å; L213-L220 HydrophobicContact CB-CB 4.31Å; L213-L220 HydrophobicContact CD1-CD2 3.98Å; L213-L220 HydrophobicContact CG-CD2 4.47Å; L213-L220 PolarHBondContact N-O 2.81Å; L213-L220 PolarHBondContact O-N 3.06Å; M215-L220 HydrophobicContact SD-CB 4.35Å; L218-L220 HydrophobicContact CD1-CB 3.87Å; L220-A222 HydrophobicContact CD2-CB 3.89Å; L220-L315 HydrophobicContact CD1-CD1 3.83Å; L220-L315 HydrophobicContact CD2-CD1 4.08Å; L220-L315 HydrophobicContact CG-CD1 3.65Å; L220-C316 WeakPolarHBondContact CA-O 3.34Å; L220-L317 HydrophobicContact CB-CD2 4.15Å; L220-L317 HydrophobicContact CD1-CD2 4.48Å; L220-L317 HydrophobicContact CG-CD2 4.14Å |
| 221 | K | 93.6 | Very high | 87.1 | Confident | 38 Ų | 38 | 46.2 Ų | 46.2 | 17% | 0.165 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 133.1 | 167.4 | -57.5 | -174.6 | -168.7 | -62 | 0 | 108.5 | L211 D212 T219 C316 E318 | L211-K221 CarbonylContact O-C 3.54Å; L211-K221 VanDerWaalsContact O-CA 3.24Å; L211-K221 WeakPolarHBondContact O-CA 3.12Å; D212-K221 IonicContact OD1-NZ 3.68Å; D212-K221 PolarHBondContact OD1-NZ 3.33Å; D212-K221 IonicContact OD2-NZ 3Å; D212-K221 PolarHBondContact OD2-NZ 2.86Å; T219-K221 HydrophobicContact CG2-CG 4.39Å; K221-C316 HydrophobicContact CB-CB 4.08Å; K221-C316 PolarHBondContact N-O 3.04Å; K221-C316 WeakPolarHBondContact O-CA 3.32Å; K221-C316 WeakPolarHBondContact O-CB 3.3Å; K221-C316 PolarHBondContact O-N 3.18Å; K221-C316 VanDerWaalsContact O-O 3.04Å; K221-E318 VanDerWaalsContact CE-CD 3.43Å; K221-E318 WeakPolarHBondContact CE-OE1 3.5Å; K221-E318 IonicContact NZ-OE1 3.26Å |
| 222 | A | 93.7 | Very high | 85.6 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 153.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | W123 M167 Y210 L211 L220 V314 | W123-A222 HydrophobicContact CH2-CB 3.95Å; W123-A222 HydrophobicContact CZ3-CB 4.01Å; M167-A222 HydrophobicContact CE-CB 3.78Å; Y210-A222 CarbonylContact C-O 3.45Å; Y210-A222 WeakPolarHBondContact CA-O 3.26Å; L211-A222 HydrophobicContact CB-CB 4.29Å; L211-A222 PolarHBondContact N-O 2.73Å; L211-A222 PolarHBondContact O-N 2.95Å; L220-A222 HydrophobicContact CD2-CB 3.89Å; A222-V314 WeakPolarHBondContact CA-O 3.28Å |
| 223 | F | 91.3 | Very high | 83.8 | Confident | 3 Ų | 3 | 42.1 Ų | 42.1 | 1% | 0.013 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 140.3 | -178.7 | 166.6 | -109.1 | 0 | 0 | 0 | 109.4 | A208 K209 Y210 K225 L231 F237 G313 V314 | A208-F223 HydrophobicContact CB-CD2 4.41Å; A208-F223 HydrophobicContact CB-CE2 3.5Å; A208-F223 VanDerWaalsContact CB-CE2 3.5Å; A208-F223 HydrophobicContact CB-CZ 4.06Å; K209-F223 WeakPolarHBondContact O-CA 3.43Å; Y210-F223 HydrophobicContact CD1-CB 4.22Å; Y210-F223 AromaticContact CD1-CD2 3.37Å; Y210-F223 HydrophobicContact CD1-CD2 3.37Å; Y210-F223 HydrophobicContact CD1-CE2 4.06Å; Y210-F223 HydrophobicContact CD1-CG 4.21Å; Y210-F223 HydrophobicContact CE1-CB 4.47Å; Y210-F223 AromaticContact CE1-CD2 2.98Å; Y210-F223 HydrophobicContact CE1-CD2 2.98Å; Y210-F223 AromaticContact CE1-CE2 3.2Å; Y210-F223 HydrophobicContact CE1-CE2 3.2Å; Y210-F223 AromaticContact CE1-CG 4Å; Y210-F223 HydrophobicContact CE1-CG 4Å; Y210-F223 HydrophobicContact CE1-CZ 4.4Å; Y210-F223 HydrophobicContact CG-CD2 4.37Å; Y210-F223 AromaticContact CZ-CD2 3.78Å; Y210-F223 AromaticContact CZ-CE2 3.56Å; F223-K225 HydrophobicContact CE1-CB 4.01Å; F223-K225 HydrophobicContact CE1-CD 4.19Å; F223-K225 HydrophobicContact CE1-CG 4.06Å; F223-K225 HydrophobicContact CE2-CB 4.34Å; F223-K225 HydrophobicContact CZ-CB 3.63Å; F223-K225 HydrophobicContact CZ-CD 4.19Å; F223-K225 HydrophobicContact CZ-CG 4.13Å; F223-L231 HydrophobicContact CZ-CD1 4.44Å; F223-F237 HydrophobicContact CB-CD1 3.71Å; F223-F237 HydrophobicContact CB-CD2 4.37Å; F223-F237 HydrophobicContact CB-CE1 3.32Å; F223-F237 HydrophobicContact CB-CE2 4.04Å; F223-F237 HydrophobicContact CB-CG 4.24Å; F223-F237 HydrophobicContact CB-CZ 3.51Å; F223-F237 HydrophobicContact CD1-CD1 4.14Å; F223-F237 AromaticContact CD1-CE1 3.85Å; F223-F237 HydrophobicContact CD1-CE1 3.85Å; F223-F237 HydrophobicContact CD2-CD1 4.13Å; F223-F237 HydrophobicContact CD2-CE1 4.48Å; F223-F237 AromaticContact CG-CD1 3.74Å; F223-F237 HydrophobicContact CG-CD1 3.74Å; F223-F237 AromaticContact CG-CE1 3.65Å; F223-F237 HydrophobicContact CG-CE1 3.65Å; F223-F237 HydrophobicContact CG-CZ 4.34Å; F223-G313 CarbonylContact O-C 3.54Å; F223-G313 WeakPolarHBondContact O-CA 3.47Å; F223-V314 PolarHBondContact N-O 3.21Å; F223-V314 PolarHBondContact O-N 3.09Å |
| 224 | A | 92.2 | Very high | 82.5 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 148.2 | 162.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | M167 E171 A208 K209 N312 | M167-A224 HydrophobicContact CG-CB 3.86Å; M167-A224 VanDerWaalsContact O-CB 3.25Å; M167-A224 WeakPolarHBondContact O-CB 3.33Å; M167-A224 HydrophobicContact SD-CB 3.27Å; M167-A224 WeakPolarHBondContact SD-CB 3.19Å; E171-A224 HydrophobicContact CB-CB 3.78Å; A208-A224 CarbonylContact C-O 3.53Å; A208-A224 VanDerWaalsContact CA-O 3.22Å; A208-A224 WeakPolarHBondContact CA-O 3.31Å; A208-A224 WeakPolarHBondContact CB-O 3.29Å; K209-A224 PolarHBondContact N-O 2.77Å; K209-A224 PolarHBondContact O-N 2.88Å; A224-N312 WeakPolarHBondContact CA-O 3.45Å |
| 225 | K | 89.6 | Confident | 81.1 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 150.5 | 173.2 | 68.3 | 174.4 | -173.9 | 75.9 | 0 | 111.9 | Y170 Y207 A208 F223 A229 L231 G232 E308 Y310 G311 N312 | Y170-K225 CarbonylContact O-C 3.49Å; Y207-K225 WeakPolarHBondContact O-CA 3.36Å; A208-K225 HydrophobicContact CB-CB 3.95Å; F223-K225 HydrophobicContact CE1-CB 4.01Å; F223-K225 HydrophobicContact CE1-CD 4.19Å; F223-K225 HydrophobicContact CE1-CG 4.06Å; F223-K225 HydrophobicContact CE2-CB 4.34Å; F223-K225 HydrophobicContact CZ-CB 3.63Å; F223-K225 HydrophobicContact CZ-CD 4.19Å; F223-K225 HydrophobicContact CZ-CG 4.13Å; K225-A229 HydrophobicContact CB-CB 3.97Å; K225-A229 HydrophobicContact CD-CB 4.41Å; K225-L231 HydrophobicContact CD-CB 4.28Å; K225-L231 WeakPolarHBondContact CD-O 3.22Å; K225-L231 WeakPolarHBondContact CE-O 3.28Å; K225-L231 PolarHBondContact NZ-O 2.72Å; K225-G232 WeakPolarHBondContact CE-O 3.02Å; K225-E308 PolarHBondContact NZ-O 3.17Å; K225-Y310 PolarHBondContact NZ-O 2.75Å; K225-G311 WeakPolarHBondContact O-CA 3.44Å; K225-N312 WeakPolarHBondContact CE-ND2 3.3Å; K225-N312 WeakPolarHBondContact CE-OD1 3.31Å; K225-N312 PolarHBondContact N-O 3.41Å; K225-N312 PolarHBondContact NZ-ND2 3.14Å; K225-N312 PolarHBondContact O-N 3.11Å |
| 226 | L | 88 | Confident | 80.1 | Confident | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | trans | -84 | 160.3 | 168.1 | -71.6 | 173 | 0 | 0 | 0 | 110.4 | Y170 A172 R203 Y207 Q228 A229 | Y170-L226 VanDerWaalsContact O-CA 3.25Å; Y170-L226 WeakPolarHBondContact O-CA 3.35Å; Y170-L226 WeakPolarHBondContact O-CD2 3.19Å; Y170-L226 WeakPolarHBondContact O-CG 3.44Å; Y170-L226 PolarHBondContact O-N 2.82Å; A172-L226 HydrophobicContact CB-CD2 3.96Å; R203-L226 HydrophobicContact CB-CD1 3.83Å; R203-L226 HydrophobicContact CG-CD1 3.89Å; Y207-L226 PolarHBondContact O-N 3.5Å; L226-Q228 VanDerWaalsContact CB-OE1 3.3Å; L226-Q228 PolarHBondContact O-N 3.26Å; L226-Q228 VanDerWaalsContact O-N 3.16Å; L226-A229 WeakPolarHBondContact O-CB 3.43Å; L226-A229 PolarHBondContact O-N 3.2Å; L226-A229 VanDerWaalsContact O-N 3.1Å | ||
| 227 | P | 82.4 | Confident | 79.6 | Confident | 55 Ų | 55 | 32.2 Ų | 32.2 | 36% | 0.357 | 17% | 0.171 | S | C | . | . | G | 310 helix | trans | -45.9 | -41.6 | 170.5 | -33 | 38.7 | 0 | 0 | 0 | 114.3 | A229 Q309 | P227-A229 PolarHBondContact O-N 3.12Å; P227-Q309 WeakPolarHBondContact CA-O 3.35Å; P227-Q309 VanDerWaalsContact CB-O 3.22Å; P227-Q309 WeakPolarHBondContact CB-O 3.2Å |
| 228 | Q | 79.6 | Confident | 79.1 | Confident | 90 Ų | 90 | 30.9 Ų | 30.9 | 42% | 0.421 | 16% | 0.16 | S | C | . | . | G | 310 helix | trans | -69.1 | -17 | -174.6 | -62.6 | 81.4 | -0.2 | 0 | 0 | 113.6 | Y207 L226 N230 | Y207-Q228 HydrophobicContact CD1-CB 3.5Å; Y207-Q228 VanDerWaalsContact CD1-CB 3.5Å; Y207-Q228 HydrophobicContact CD1-CG 4.43Å; Y207-Q228 HydrophobicContact CE1-CB 3.5Å; Y207-Q228 HydrophobicContact CE1-CG 4.18Å; Y207-Q228 HydrophobicContact CG-CB 4.01Å; L226-Q228 VanDerWaalsContact CB-OE1 3.3Å; L226-Q228 PolarHBondContact O-N 3.26Å; L226-Q228 VanDerWaalsContact O-N 3.16Å; Q228-N230 PolarHBondContact O-N 3.11Å |
| 229 | A | 74.2 | Confident | 78.5 | Confident | 17 Ų | 17 | 38.8 Ų | 38.8 | 14% | 0.14 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -60.4 | -30.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y207 K225 L226 P227 L231 | Y207-A229 VanDerWaalsContact CB-CA 3.47Å; K225-A229 HydrophobicContact CB-CB 3.97Å; K225-A229 HydrophobicContact CD-CB 4.41Å; L226-A229 WeakPolarHBondContact O-CB 3.43Å; L226-A229 PolarHBondContact O-N 3.2Å; L226-A229 VanDerWaalsContact O-N 3.1Å; P227-A229 PolarHBondContact O-N 3.12Å; A229-L231 HydrophobicContact CB-CB 4.34Å; A229-L231 HydrophobicContact CB-CD1 4.22Å; A229-L231 HydrophobicContact CB-CG 4.05Å; A229-L231 PolarHBondContact O-N 2.9Å |
| 230 | N | 68.2 | Low | 78.1 | Confident | 144 Ų | 144 | 40.8 Ų | 40.8 | 77% | 0.77 | 20% | 0.201 | S | C | * | . | trans | 45.9 | 21.5 | -172.3 | -160.4 | 27.7 | 0 | 0 | 0 | 113.9 | Q228 | Q228-N230 PolarHBondContact O-N 3.11Š| ||
| 231 | L | 64.6 | Low | 78 | Confident | 51 Ų | 51 | 42.4 Ų | 42.4 | 27% | 0.267 | 21% | 0.212 | S | C | . | . | trans | -78.4 | 124.4 | 159.9 | -54.9 | 175.2 | 0 | 0 | 0 | 103 | A208 F223 K225 A229 | A208-L231 HydrophobicContact CB-CD1 4.28Å; F223-L231 HydrophobicContact CZ-CD1 4.44Å; K225-L231 HydrophobicContact CD-CB 4.28Å; K225-L231 WeakPolarHBondContact CD-O 3.22Å; K225-L231 WeakPolarHBondContact CE-O 3.28Å; K225-L231 PolarHBondContact NZ-O 2.72Å; A229-L231 HydrophobicContact CB-CB 4.34Å; A229-L231 HydrophobicContact CB-CD1 4.22Å; A229-L231 HydrophobicContact CB-CG 4.05Å; A229-L231 PolarHBondContact O-N 2.9Å | ||
| 232 | G | 59.8 | Low | 77.9 | Confident | 7 Ų | 7 | 40.7 Ų | 40.7 | 7% | 0.072 | 20% | 0.204 | C | C | . | . | trans | -58.6 | -163.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | K225 R234 | K225-G232 WeakPolarHBondContact CE-O 3.02Å; G232-R234 PolarHBondContact O-N 2.9Å | ||
| 233 | D | 54.4 | Low | 77.9 | Confident | 29 Ų | 29 | 42.4 Ų | 42.4 | 16% | 0.155 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -64.2 | 16.6 | 165.7 | 68 | -31.4 | 0 | 0 | 0 | 113.5 | P235 L254 R303 | D233-P235 WeakPolarHBondContact O-CD 3.35Å; D233-L254 WeakPolarHBondContact OD1-CD1 3.36Å; D233-R303 WeakPolarHBondContact OD2-CD 3.38Å; D233-R303 WeakPolarHBondContact OD2-CG 3.12Å; D233-R303 IonicContact OD2-CZ 2.72Å; D233-R303 IonicContact OD2-NE 2.64Å; D233-R303 PolarHBondContact OD2-NE 3.47Å |
| 234 | R | 63.6 | Low | 77.9 | Confident | 83 Ų | 83 | 42.5 Ų | 42.5 | 31% | 0.313 | 21% | 0.211 | S | C | . | . | trans | -73.5 | 120.8 | -172.1 | -60 | -171.3 | -60.5 | -120 | -8.8 | 109.9 | G232 D236 | G232-R234 PolarHBondContact O-N 2.9Å; R234-D236 WeakPolarHBondContact CB-OD1 3.49Å; R234-D236 IonicContact CZ-OD2 3.82Å; R234-D236 IonicContact NE-OD1 3.15Å; R234-D236 IonicContact NE-OD2 2.83Å; R234-D236 PolarHBondContact NE-OD2 3.03Å; R234-D236 IonicContact NH2-OD2 3.87Å; R234-D236 PolarHBondContact O-N 3.02Å | ||
| 235 | P | 63.1 | Low | 78 | Confident | 6 Ų | 6 | 42.5 Ų | 42.5 | 4% | 0.039 | 21% | 0.212 | C | C | . | . | trans | -81.4 | 50.1 | 174 | 37.8 | -39.7 | 0 | 0 | 0 | 110.5 | D233 F237 I238 L242 L288 | D233-P235 WeakPolarHBondContact O-CD 3.35Å; P235-F237 HydrophobicContact CB-CD1 4.15Å; P235-F237 HydrophobicContact CB-CE1 3.71Å; P235-F237 HydrophobicContact CB-CZ 4.33Å; P235-F237 PolarHBondContact O-N 2.86Å; P235-I238 HydrophobicContact CB-CD1 3.61Å; P235-I238 HydrophobicContact CB-CG1 3.95Å; P235-I238 HydrophobicContact CG-CD1 4.28Å; P235-I238 WeakPolarHBondContact O-CB 3.18Å; P235-I238 PolarHBondContact O-N 2.87Å; P235-L242 HydrophobicContact CB-CD1 4.12Å; P235-L242 HydrophobicContact CG-CD1 3.25Å; P235-L288 HydrophobicContact CB-CD2 4.43Å; P235-L288 HydrophobicContact CG-CD2 3.69Å | ||
| 236 | D | 68.2 | Low | 77.8 | Confident | 36 Ų | 36 | 42.9 Ų | 42.9 | 19% | 0.193 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -54.9 | -24 | -178.3 | -67.1 | -25.6 | 0 | 0 | 0 | 111.2 | R234 I238 K239 Y262 | R234-D236 WeakPolarHBondContact CB-OD1 3.49Å; R234-D236 IonicContact CZ-OD2 3.82Å; R234-D236 IonicContact NE-OD1 3.15Å; R234-D236 IonicContact NE-OD2 2.83Å; R234-D236 PolarHBondContact NE-OD2 3.03Å; R234-D236 IonicContact NH2-OD2 3.87Å; R234-D236 PolarHBondContact O-N 3.02Å; D236-I238 VanDerWaalsContact C-N 3.33Å; D236-I238 PolarHBondContact O-N 3.23Å; D236-K239 VanDerWaalsContact O-CG 3.32Å; D236-K239 WeakPolarHBondContact O-CG 3.17Å; D236-K239 PolarHBondContact O-N 2.92Å; D236-Y262 WeakPolarHBondContact OD1-CE2 3.27Å; D236-Y262 PolarHBondContact OD1-OH 3.38Å |
| 237 | F | 74.2 | Confident | 76.8 | Confident | 39 Ų | 39 | 43.9 Ų | 43.9 | 17% | 0.171 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -67.6 | -25.1 | 176.1 | 73.1 | -90 | 0 | 0 | 0 | 115.4 | Y210 F223 P235 K239 V314 | Y210-F237 HydrophobicContact CD1-CB 3.36Å; Y210-F237 HydrophobicContact CD1-CD1 4.33Å; Y210-F237 HydrophobicContact CD1-CD2 4.2Å; Y210-F237 AromaticContact CD1-CG 3.74Å; Y210-F237 HydrophobicContact CD1-CG 3.74Å; Y210-F237 HydrophobicContact CE1-CB 3.15Å; Y210-F237 HydrophobicContact CE1-CD1 4.03Å; Y210-F237 AromaticContact CE1-CG 3.73Å; Y210-F237 HydrophobicContact CE1-CG 3.73Å; Y210-F237 HydrophobicContact CG-CB 4.47Å; F223-F237 HydrophobicContact CB-CD1 3.71Å; F223-F237 HydrophobicContact CB-CD2 4.37Å; F223-F237 HydrophobicContact CB-CE1 3.32Å; F223-F237 HydrophobicContact CB-CE2 4.04Å; F223-F237 HydrophobicContact CB-CG 4.24Å; F223-F237 HydrophobicContact CB-CZ 3.51Å; F223-F237 HydrophobicContact CD1-CD1 4.14Å; F223-F237 AromaticContact CD1-CE1 3.85Å; F223-F237 HydrophobicContact CD1-CE1 3.85Å; F223-F237 HydrophobicContact CD2-CD1 4.13Å; F223-F237 HydrophobicContact CD2-CE1 4.48Å; F223-F237 AromaticContact CG-CD1 3.74Å; F223-F237 HydrophobicContact CG-CD1 3.74Å; F223-F237 AromaticContact CG-CE1 3.65Å; F223-F237 HydrophobicContact CG-CE1 3.65Å; F223-F237 HydrophobicContact CG-CZ 4.34Å; P235-F237 HydrophobicContact CB-CD1 4.15Å; P235-F237 HydrophobicContact CB-CE1 3.71Å; P235-F237 HydrophobicContact CB-CZ 4.33Å; P235-F237 PolarHBondContact O-N 2.86Å; F237-K239 PolarHBondContact O-N 2.77Å; F237-V314 HydrophobicContact CE1-CB 4.47Å; F237-V314 HydrophobicContact CZ-CB 4.33Å; F237-V314 HydrophobicContact CZ-CG1 4.27Å |
| 238 | I | 79 | Confident | 75.8 | Confident | 15 Ų | 15 | 42.5 Ų | 42.5 | 8% | 0.077 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -72.1 | -25.1 | 175.7 | -57.2 | 179.1 | 0 | 0 | 0 | 109.9 | P235 D236 K240 L242 C297 C316 | P235-I238 HydrophobicContact CB-CD1 3.61Å; P235-I238 HydrophobicContact CB-CG1 3.95Å; P235-I238 HydrophobicContact CG-CD1 4.28Å; P235-I238 WeakPolarHBondContact O-CB 3.18Å; P235-I238 PolarHBondContact O-N 2.87Å; D236-I238 VanDerWaalsContact C-N 3.33Å; D236-I238 PolarHBondContact O-N 3.23Å; I238-K240 HydrophobicContact CG2-CB 3.96Å; I238-K240 HydrophobicContact CG2-CD 3.81Å; I238-K240 HydrophobicContact CG2-CG 4.15Å; I238-K240 WeakPolarHBondContact O-CG 3.5Å; I238-K240 PolarHBondContact O-N 3.15Å; I238-L242 HydrophobicContact CB-CD1 4.33Å; I238-L242 HydrophobicContact CD1-CD1 3.99Å; I238-L242 HydrophobicContact CD1-CD2 4.18Å; I238-L242 HydrophobicContact CG2-CD2 4.35Å; I238-C297 WeakPolarHBondContact CD1-SG 3.23Å; I238-C316 WeakPolarHBondContact CD1-SG 3.47Å |
| 239 | K | 81 | Confident | 74.8 | Confident | 174 Ų | 174 | 41.4 Ų | 41.4 | 76% | 0.757 | 21% | 0.212 | S | C | * | . | trans | 50.9 | 36.3 | -179.4 | -59.2 | -177.9 | 179.5 | 179.7 | 0 | 113.3 | D236 F237 | D236-K239 VanDerWaalsContact O-CG 3.32Å; D236-K239 WeakPolarHBondContact O-CG 3.17Å; D236-K239 PolarHBondContact O-N 2.92Å; F237-K239 PolarHBondContact O-N 2.77Å | ||
| 240 | K | 86.2 | Confident | 74.1 | Confident | 69 Ų | 69 | 45 Ų | 45 | 30% | 0.3 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -135.1 | 154.8 | -179.8 | -67.8 | 165.7 | 177.7 | -74.3 | 0 | 110.4 | I238 L242 G292 V295 | I238-K240 HydrophobicContact CG2-CB 3.96Å; I238-K240 HydrophobicContact CG2-CD 3.81Å; I238-K240 HydrophobicContact CG2-CG 4.15Å; I238-K240 WeakPolarHBondContact O-CG 3.5Å; I238-K240 PolarHBondContact O-N 3.15Å; K240-L242 WeakPolarHBondContact O-CG 3.28Å; K240-G292 WeakPolarHBondContact CD-O 3.49Å; K240-G292 PolarHBondContact NZ-O 2.99Å; K240-V295 HydrophobicContact CD-CG2 4.11Å |
| 241 | S | 91 | Very high | 73.5 | Confident | 33 Ų | 33 | 47 Ų | 47 | 23% | 0.231 | 23% | 0.229 | C | C | . | . | trans | -67.1 | 134.4 | 166.2 | -64.8 | 0 | 0 | 0 | 0 | 110.4 | K263 K291 | S241-K263 CarbonylContact C-O 3.4Å; S241-K263 WeakPolarHBondContact CA-O 3.4Å; S241-K263 WeakPolarHBondContact CB-O 3.03Å; S241-K263 PolarHBondContact OG-N 2.04Å; S241-K291 PolarHBondContact O-N 2.96Å | ||
| 242 | L | 92.1 | Very high | 73.3 | Confident | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 152.1 | -170.4 | -67.8 | 156.5 | 0 | 0 | 0 | 110.3 | P235 I238 K240 K263 V264 E265 L288 V289 | P235-L242 HydrophobicContact CB-CD1 4.12Å; P235-L242 HydrophobicContact CG-CD1 3.25Å; I238-L242 HydrophobicContact CB-CD1 4.33Å; I238-L242 HydrophobicContact CD1-CD1 3.99Å; I238-L242 HydrophobicContact CD1-CD2 4.18Å; I238-L242 HydrophobicContact CG2-CD2 4.35Å; K240-L242 WeakPolarHBondContact O-CG 3.28Å; L242-K263 PolarHBondContact N-O 3.04Å; L242-V264 WeakPolarHBondContact O-CA 3.41Å; L242-E265 PolarHBondContact O-N 3.47Å; L242-L288 HydrophobicContact CB-CD2 4.46Å; L242-L288 HydrophobicContact CD1-CD2 4.19Å; L242-L288 HydrophobicContact CD2-CB 4.4Å; L242-V289 WeakPolarHBondContact CA-O 3.16Å |
| 243 | R | 93 | Very high | 73.8 | Confident | 37 Ų | 37 | 53.7 Ų | 53.7 | 14% | 0.14 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 129.2 | 165.1 | -62.7 | 179.3 | -68.9 | 176.6 | 4.7 | 107.9 | E265 L267 L288 V289 K291 D331 | R243-E265 CarbonylContact C-O 3.58Å; R243-E265 VanDerWaalsContact CA-O 3.22Å; R243-E265 WeakPolarHBondContact CA-O 3.41Å; R243-E265 HydrophobicContact CG-CB 4.44Å; R243-L267 HydrophobicContact CB-CD1 4.05Å; R243-L267 HydrophobicContact CB-CD2 3.88Å; R243-L267 HydrophobicContact CB-CG 4.02Å; R243-L267 HydrophobicContact CG-CD2 4.34Å; R243-L288 CarbonylContact O-C 3.51Å; R243-L288 VanDerWaalsContact O-CA 3.28Å; R243-L288 WeakPolarHBondContact O-CA 3.31Å; R243-V289 HydrophobicContact CB-CG2 3.94Å; R243-V289 PolarHBondContact N-O 3.25Å; R243-V289 PolarHBondContact O-N 2.73Å; R243-K291 HydrophobicContact CG-CG 4.32Å; R243-D331 IonicContact CZ-OD1 2.9Å; R243-D331 VanDerWaalsContact CZ-OD1 3.26Å; R243-D331 IonicContact NH1-OD1 2.81Å; R243-D331 PolarHBondContact NH1-OD1 2.83Å; R243-D331 IonicContact NH2-OD1 3.25Å; R243-D331 PolarHBondContact NH2-OD1 2.94Å |
| 244 | I | 92.1 | Very high | 74.9 | Confident | 4 Ų | 4 | 52.9 Ų | 52.9 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 126.1 | -173.2 | -176.2 | 158.7 | 0 | 0 | 0 | 111.2 | V264 E265 V266 L267 V286 L288 R303 | I244-V264 HydrophobicContact CB-CG1 4.34Å; I244-V264 HydrophobicContact CG2-CG1 3.72Å; I244-E265 PolarHBondContact N-O 2.76Å; I244-V266 HydrophobicContact CG2-CB 4.17Å; I244-V266 HydrophobicContact CG2-CG1 4.1Å; I244-V266 HydrophobicContact CG2-CG2 3.85Å; I244-L267 WeakPolarHBondContact O-CB 3.45Å; I244-L267 PolarHBondContact O-N 2.81Å; I244-V286 HydrophobicContact CD1-CG1 4.1Å; I244-V286 HydrophobicContact CG1-CG1 4.32Å; I244-L288 HydrophobicContact CB-CD2 4.23Å; I244-L288 HydrophobicContact CB-CG 4.1Å; I244-L288 HydrophobicContact CD1-CD1 4.21Å; I244-L288 HydrophobicContact CD1-CD2 3.78Å; I244-L288 HydrophobicContact CD1-CG 3.84Å; I244-L288 HydrophobicContact CG1-CD1 4.5Å; I244-L288 HydrophobicContact CG1-CD2 4.22Å; I244-L288 HydrophobicContact CG1-CG 3.87Å; I244-R303 VanDerWaalsContact CD1-CD 3.4Å |
| 245 | W | 93.2 | Very high | 75.8 | Confident | 1 Ų | 1 | 53.7 Ų | 53.7 | 0% | 0.004 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 146.3 | 165.2 | -177.6 | -95 | 0 | 0 | 0 | 109.1 | L267 F271 N280 D283 V286 W287 T333 | W245-L267 HydrophobicContact CB-CD1 4.35Å; W245-L267 HydrophobicContact CE3-CB 3.89Å; W245-F271 HydrophobicContact CD2-CD1 4.44Å; W245-F271 HydrophobicContact CD2-CE1 4.14Å; W245-F271 AromaticContact CE2-CE1 3.59Å; W245-F271 HydrophobicContact CE3-CD1 4.33Å; W245-F271 HydrophobicContact CE3-CE1 4.49Å; W245-F271 AromaticContact CH2-CD1 3.63Å; W245-F271 HydrophobicContact CH2-CD1 3.63Å; W245-F271 AromaticContact CH2-CE1 3.83Å; W245-F271 HydrophobicContact CH2-CE1 3.83Å; W245-F271 AromaticContact CZ2-CD1 3.74Å; W245-F271 HydrophobicContact CZ2-CD1 3.74Å; W245-F271 AromaticContact CZ2-CE1 3.4Å; W245-F271 HydrophobicContact CZ2-CE1 3.4Å; W245-F271 AromaticContact CZ3-CD1 3.96Å; W245-F271 HydrophobicContact CZ3-CD1 3.96Å; W245-F271 HydrophobicContact CZ3-CE1 4.37Å; W245-F271 AromaticContact NE1-CE1 4Å; W245-N280 HydrophobicContact CH2-CB 3.67Å; W245-N280 HydrophobicContact CZ2-CB 3.73Å; W245-N280 HydrophobicContact CZ3-CB 4.25Å; W245-D283 HydrophobicContact CZ2-CB 4.29Å; W245-D283 PolarHBondContact NE1-OD2 2.73Å; W245-V286 VanDerWaalsContact O-CA 3.3Å; W245-V286 WeakPolarHBondContact O-CA 3.05Å; W245-W287 HydrophobicContact CB-CD2 3.64Å; W245-W287 HydrophobicContact CB-CE3 4.03Å; W245-W287 HydrophobicContact CB-CG 4.2Å; W245-W287 HydrophobicContact CB-CH2 3.89Å; W245-W287 HydrophobicContact CB-CZ2 3.48Å; W245-W287 VanDerWaalsContact CB-CZ2 3.48Å; W245-W287 HydrophobicContact CB-CZ3 4.15Å; W245-W287 AromaticContact CD1-CD1 3.73Å; W245-W287 AromaticContact CD1-CE2 3.64Å; W245-W287 AromaticContact CD1-NE1 3.13Å; W245-W287 HydrophobicContact CD2-CZ2 4.01Å; W245-W287 HydrophobicContact CE3-CZ2 4.48Å; W245-W287 HydrophobicContact CG-CD2 4.26Å; W245-W287 AromaticContact CG-CE2 3.5Å; W245-W287 VanDerWaalsContact CG-CE2 3.5Å; W245-W287 HydrophobicContact CG-CH2 4.39Å; W245-W287 AromaticContact CG-CZ2 3.58Å; W245-W287 HydrophobicContact CG-CZ2 3.58Å; W245-W287 AromaticContact CG-NE1 3.52Å; W245-W287 PolarHBondContact N-O 3.47Å; W245-W287 AromaticContact NE1-NE1 3.82Å; W245-W287 PolarHBondContact O-N 3.15Å; W245-W287 VanDerWaalsContact O-N 3.11Å; W245-T333 HydrophobicContact CE3-CG2 3.86Å; W245-T333 HydrophobicContact CH2-CG2 4.44Å; W245-T333 HydrophobicContact CZ3-CG2 3.47Å; W245-T333 VanDerWaalsContact CZ3-CG2 3.47Å |
| 246 | G | 86.7 | Confident | 76.9 | Confident | 7 Ų | 7 | 55.2 Ų | 55.2 | 7% | 0.072 | 27% | 0.271 | C | S | . | . | trans | 139.2 | 15.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | G248 T285 | G246-G248 PolarHBondContact O-N 2.8Å; G246-T285 WeakPolarHBondContact CA-O 3.47Å | ||
| 247 | Q | 67.2 | Low | 77.8 | Confident | 23 Ų | 23 | 57.5 Ų | 57.5 | 11% | 0.107 | 28% | 0.278 | C | S | . | . | trans | -79.3 | 96.4 | 170.7 | -69.8 | -169.8 | -4.7 | 0 | 0 | 109.7 | K253 L254 V266 N280 | Q247-K253 HydrophobicContact CB-CG 4.42Å; Q247-K253 HydrophobicContact CG-CG 4.33Å; Q247-L254 PolarHBondContact NE2-O 2.78Å; Q247-V266 HydrophobicContact CG-CG1 3.36Å; Q247-N280 PolarHBondContact O-ND2 3.27Å; Q247-N280 VanDerWaalsContact O-ND2 3.09Å | ||
| 248 | G | 59.6 | Low | 78.3 | Confident | 25 Ų | 25 | 58.5 Ų | 58.5 | 26% | 0.258 | 29% | 0.289 | S | S | . | . | trans | -68 | -132.7 | 164.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | G246 V250 | G246-G248 PolarHBondContact O-N 2.8Å; G248-V250 PolarHBondContact O-N 2.86Å | ||
| 249 | D | 59.8 | Low | 78.6 | Confident | 67 Ų | 67 | 59.5 Ų | 59.5 | 36% | 0.358 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -48.5 | 126.9 | -179.4 | -173.5 | -25.1 | 0 | 0 | 0 | 112 | R251 Y252 | D249-R251 PolarHBondContact O-N 2.83Å; D249-R251 WeakPolarHBondContact OD1-CB 3.33Å; D249-R251 WeakPolarHBondContact OD1-CG 3.15Å; D249-R251 PolarHBondContact OD1-N 3.03Å; D249-R251 IonicContact OD1-NE 3.74Å; D249-R251 PolarHBondContact OD1-NE 3.34Å; D249-R251 IonicContact OD2-CZ 2.66Å; D249-R251 IonicContact OD2-NE 3.05Å; D249-R251 PolarHBondContact OD2-NE 2.89Å; D249-R251 VanDerWaalsContact OD2-NE 3.15Å; D249-R251 IonicContact OD2-NH2 2.72Å; D249-R251 PolarHBondContact OD2-NH2 2.94Å; D249-Y252 PolarHBondContact O-N 2.83Å |
| 250 | V | 58.8 | Low | 78.7 | Confident | 94 Ų | 94 | 56 Ų | 56 | 57% | 0.57 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -57.9 | -22.1 | -175.2 | -57.5 | 0 | 0 | 0 | 0 | 114.1 | G248 Y252 K253 | G248-V250 PolarHBondContact O-N 2.86Å; V250-Y252 VanDerWaalsContact C-N 3.34Å; V250-Y252 PolarHBondContact O-N 3.01Å; V250-K253 HydrophobicContact CB-CD 4.18Å; V250-K253 WeakPolarHBondContact O-CD 3.43Å; V250-K253 WeakPolarHBondContact O-CG 3.41Å |
| 251 | R | 56 | Low | 78.6 | Confident | 185 Ų | 185 | 61.5 Ų | 61.5 | 70% | 0.698 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -72 | -22.8 | -176.2 | -68.5 | -179.1 | -72.2 | -172.4 | 0.2 | 114.5 | D249 | D249-R251 PolarHBondContact O-N 2.83Å; D249-R251 WeakPolarHBondContact OD1-CB 3.33Å; D249-R251 WeakPolarHBondContact OD1-CG 3.15Å; D249-R251 PolarHBondContact OD1-N 3.03Å; D249-R251 IonicContact OD1-NE 3.74Å; D249-R251 PolarHBondContact OD1-NE 3.34Å; D249-R251 IonicContact OD2-CZ 2.66Å; D249-R251 IonicContact OD2-NE 3.05Å; D249-R251 PolarHBondContact OD2-NE 2.89Å; D249-R251 VanDerWaalsContact OD2-NE 3.15Å; D249-R251 IonicContact OD2-NH2 2.72Å; D249-R251 PolarHBondContact OD2-NH2 2.94Å |
| 252 | Y | 61.3 | Low | 78.4 | Confident | 105 Ų | 105 | 61.7 Ų | 61.7 | 41% | 0.412 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -121.1 | 26.4 | -175.4 | -54 | -72.5 | 0 | 0 | 0 | 112.8 | D249 V250 L254 R305 T306 | D249-Y252 PolarHBondContact O-N 2.83Å; V250-Y252 VanDerWaalsContact C-N 3.34Å; V250-Y252 PolarHBondContact O-N 3.01Å; Y252-L254 PolarHBondContact O-N 2.86Å; Y252-R305 PolarHBondContact O-N 3.46Å; Y252-T306 HydrophobicContact CD1-CG2 4.09Å; Y252-T306 HydrophobicContact CE1-CG2 4.19Å |
| 253 | K | 70.2 | Confident | 78.2 | Confident | 93 Ų | 93 | 63.7 Ų | 63.7 | 40% | 0.404 | 33% | 0.327 | S | S | . | . | trans | -62.8 | 126.2 | -179.5 | -78.3 | 173.7 | 168.3 | 172.9 | 0 | 111.5 | Q247 V250 | Q247-K253 HydrophobicContact CB-CG 4.42Å; Q247-K253 HydrophobicContact CG-CG 4.33Å; V250-K253 HydrophobicContact CB-CD 4.18Å; V250-K253 WeakPolarHBondContact O-CD 3.43Å; V250-K253 WeakPolarHBondContact O-CG 3.41Å | ||
| 254 | L | 77.1 | Confident | 78 | Confident | 13 Ų | 13 | 62.4 Ų | 62.4 | 7% | 0.068 | 32% | 0.323 | C | S | . | . | trans | -83.7 | 128.8 | 165.5 | -66.2 | 174.6 | 0 | 0 | 0 | 109.4 | D233 Q247 Y252 R303 R305 E308 | D233-L254 WeakPolarHBondContact OD1-CD1 3.36Å; Q247-L254 PolarHBondContact NE2-O 2.78Å; Y252-L254 PolarHBondContact O-N 2.86Å; L254-R303 VanDerWaalsContact CB-CZ 3.5Å; L254-R303 VanDerWaalsContact CB-NH2 3.29Å; L254-R303 HydrophobicContact CD1-CG 4.12Å; L254-R303 PolarHBondContact O-NH1 3.48Å; L254-R305 HydrophobicContact CD2-CB 3.99Å; L254-R305 HydrophobicContact CD2-CG 4.35Å; L254-E308 HydrophobicContact CD1-CG 4Å; L254-E308 WeakPolarHBondContact CD1-OE1 3.34Å; L254-E308 HydrophobicContact CD2-CG 4.44Å; L254-E308 WeakPolarHBondContact CD2-OE1 3.45Å | ||
| 255 | P | 82 | Confident | 77.9 | Confident | 100 Ų | 100 | 62.4 Ų | 62.4 | 65% | 0.649 | 32% | 0.323 | S | S | * | . | trans | -70.8 | 178.2 | -175.9 | 32 | -36.8 | 0 | 0 | 0 | 111.7 | ||||
| 256 | N | 86.9 | Confident | 77.8 | Confident | 37 Ų | 37 | 62.4 Ų | 62.4 | 20% | 0.198 | 32% | 0.323 | C | S | . | . | trans | -58.7 | 150 | 164.1 | -73.1 | 1.3 | 0 | 0 | 0 | 110.8 | V264 V266 P336 | N256-V264 VanDerWaalsContact CA-O 3.31Å; N256-V264 WeakPolarHBondContact CA-O 3.36Å; N256-V266 PolarHBondContact OD1-N 3.09Å; N256-P336 PolarHBondContact ND2-O 3.02Å | ||
| 257 | Y | 85.3 | Confident | 78 | Confident | 84 Ų | 84 | 62.1 Ų | 62.1 | 33% | 0.329 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 112.6 | 168.1 | -179.5 | -102.3 | 0 | 0 | 0 | 108.8 | N259 Y262 K263 V264 | Y257-N259 HydrophobicContact CE1-CB 4.09Å; Y257-N259 WeakPolarHBondContact CE1-ND2 3.38Å; Y257-N259 PolarHBondContact OH-ND2 3.12Å; Y257-Y262 HydrophobicContact CD1-CD2 4.44Å; Y257-Y262 AromaticContact CD1-CE2 3.96Å; Y257-Y262 HydrophobicContact CD1-CE2 3.96Å; Y257-Y262 HydrophobicContact CE1-CD2 4.34Å; Y257-Y262 AromaticContact CE1-CE2 3.62Å; Y257-Y262 HydrophobicContact CE1-CE2 3.62Å; Y257-Y262 AromaticContact CE1-CZ 3.89Å; Y257-K263 CarbonylContact O-C 3.55Å; Y257-K263 WeakPolarHBondContact O-CA 3.44Å; Y257-V264 HydrophobicContact CD1-CG2 4.44Å; Y257-V264 PolarHBondContact N-O 3.48Å; Y257-V264 PolarHBondContact O-N 2.71Å |
| 258 | C | 86.5 | Confident | 79.1 | Confident | 61 Ų | 61 | 65.4 Ų | 65.4 | 41% | 0.412 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 100.1 | -174.1 | -50.9 | 0 | 0 | 0 | 0 | 108.6 | C338 | C258-C338 VanDerWaalsContact CA-SG 3.57Å; C258-C338 HydrophobicContact CB-CB 3.7Å; C258-C338 WeakPolarHBondContact CB-SG 3.39Å; C258-C338 WeakPolarHBondContact SG-CA 3.49Å; C258-C338 WeakPolarHBondContact SG-CB 3.13Å; C258-C338 CovalentContact SG-SG 2.03Å; C258-C338 PolarHBondContact SG-SG 2.95Å |
| 259 | N | 84.4 | Confident | 80.6 | Confident | 36 Ų | 36 | 65.4 Ų | 65.4 | 19% | 0.193 | 33% | 0.332 | C | S | . | . | trans | -116.7 | 175.4 | 170.8 | 81.9 | 28.5 | 0 | 0 | 0 | 110.7 | Y257 F261 Y262 | Y257-N259 HydrophobicContact CE1-CB 4.09Å; Y257-N259 WeakPolarHBondContact CE1-ND2 3.38Å; Y257-N259 PolarHBondContact OH-ND2 3.12Å; N259-F261 VanDerWaalsContact C-N 3.28Å; N259-F261 PolarHBondContact O-N 3.43Å; N259-F261 WeakPolarHBondContact OD1-CA 3.23Å; N259-F261 PolarHBondContact OD1-N 2.91Å; N259-Y262 PolarHBondContact N-O 2.85Å; N259-Y262 WeakPolarHBondContact ND2-CE1 3.2Å; N259-Y262 PolarHBondContact OD1-N 3.41Å; N259-Y262 PolarHBondContact OD1-O 3.44Å | ||
| 260 | A | 84.1 | Confident | 82.3 | Confident | 99 Ų | 99 | 66.2 Ų | 66.2 | 82% | 0.818 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -68.7 | -21.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 261 | F | 83.8 | Confident | 84.1 | Confident | 186 Ų | 186 | 61.8 Ų | 61.8 | 82% | 0.816 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -99 | -39.7 | -173.5 | -56.5 | -73.3 | 0 | 0 | 0 | 112.9 | N259 | N259-F261 VanDerWaalsContact C-N 3.28Å; N259-F261 PolarHBondContact O-N 3.43Å; N259-F261 WeakPolarHBondContact OD1-CA 3.23Å; N259-F261 PolarHBondContact OD1-N 2.91Å |
| 262 | Y | 85.4 | Confident | 86 | Confident | 36 Ų | 36 | 55.3 Ų | 55.3 | 14% | 0.141 | 29% | 0.288 | C | S | . | . | trans | -153.6 | 154.9 | 178.6 | 60.2 | -85.1 | 0 | 0 | 0 | 111.6 | D236 Y257 N259 V264 | D236-Y262 WeakPolarHBondContact OD1-CE2 3.27Å; D236-Y262 PolarHBondContact OD1-OH 3.38Å; Y257-Y262 HydrophobicContact CD1-CD2 4.44Å; Y257-Y262 AromaticContact CD1-CE2 3.96Å; Y257-Y262 HydrophobicContact CD1-CE2 3.96Å; Y257-Y262 HydrophobicContact CE1-CD2 4.34Å; Y257-Y262 AromaticContact CE1-CE2 3.62Å; Y257-Y262 HydrophobicContact CE1-CE2 3.62Å; Y257-Y262 AromaticContact CE1-CZ 3.89Å; N259-Y262 PolarHBondContact N-O 2.85Å; N259-Y262 WeakPolarHBondContact ND2-CE1 3.2Å; N259-Y262 PolarHBondContact OD1-N 3.41Å; N259-Y262 PolarHBondContact OD1-O 3.44Å; Y262-V264 HydrophobicContact CD2-CG2 4.43Å | ||
| 263 | K | 88.6 | Confident | 87.8 | Confident | 45 Ų | 45 | 50.6 Ų | 50.6 | 20% | 0.196 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 129.4 | -176.6 | -65 | 169.1 | 179.1 | -170.1 | 0 | 109.4 | S241 L242 Y257 C338 P339 K340 | S241-K263 CarbonylContact C-O 3.4Å; S241-K263 WeakPolarHBondContact CA-O 3.4Å; S241-K263 WeakPolarHBondContact CB-O 3.03Å; S241-K263 PolarHBondContact OG-N 2.04Å; L242-K263 PolarHBondContact N-O 3.04Å; Y257-K263 CarbonylContact O-C 3.55Å; Y257-K263 WeakPolarHBondContact O-CA 3.44Å; K263-C338 HydrophobicContact CB-CB 4.24Å; K263-C338 HydrophobicContact CD-CB 3.66Å; K263-C338 HydrophobicContact CG-CB 3.94Å; K263-P339 PolarHBondContact NZ-O 2.63Å; K263-K340 PolarHBondContact NZ-OXT 3.34Å |
| 264 | V | 88.9 | Confident | 89 | Confident | 9 Ų | 9 | 49 Ų | 49 | 6% | 0.055 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 106.3 | 168.7 | -174.3 | 0 | 0 | 0 | 0 | 107.8 | L242 I244 N256 Y257 Y262 | L242-V264 WeakPolarHBondContact O-CA 3.41Å; I244-V264 HydrophobicContact CB-CG1 4.34Å; I244-V264 HydrophobicContact CG2-CG1 3.72Å; N256-V264 VanDerWaalsContact CA-O 3.31Å; N256-V264 WeakPolarHBondContact CA-O 3.36Å; Y257-V264 HydrophobicContact CD1-CG2 4.44Å; Y257-V264 PolarHBondContact N-O 3.48Å; Y257-V264 PolarHBondContact O-N 2.71Å; Y262-V264 HydrophobicContact CD2-CG2 4.43Å |
| 265 | E | 90.5 | Very high | 89.9 | Confident | 4 Ų | 4 | 56.1 Ų | 56.1 | 2% | 0.019 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 128.9 | -177.9 | -74.1 | 179.8 | -175.1 | 0 | 0 | 110.4 | L242 R243 I244 K291 H337 C338 | L242-E265 PolarHBondContact O-N 3.47Å; R243-E265 CarbonylContact C-O 3.58Å; R243-E265 VanDerWaalsContact CA-O 3.22Å; R243-E265 WeakPolarHBondContact CA-O 3.41Å; R243-E265 HydrophobicContact CG-CB 4.44Å; I244-E265 PolarHBondContact N-O 2.76Å; E265-K291 IonicContact OE1-NZ 2.87Å; E265-K291 PolarHBondContact OE1-NZ 2.83Å; E265-K291 WeakPolarHBondContact OE2-CE 3.34Å; E265-K291 IonicContact OE2-NZ 2.64Å; E265-K291 PolarHBondContact OE2-NZ 3.17Å; E265-H337 IonicContact OE1-ND1 3.91Å; E265-H337 IonicContact OE2-ND1 3.39Å; E265-H337 PolarHBondContact OE2-ND1 3.31Å; E265-C338 HydrophobicContact CG-CB 4.46Å; E265-C338 PolarHBondContact OE1-N 3.07Å |
| 266 | V | 90.3 | Very high | 90.5 | Very high | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.006 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 133.8 | -176 | -165.3 | 0 | 0 | 0 | 0 | 111 | I244 Q247 N256 S335 P336 | I244-V266 HydrophobicContact CG2-CB 4.17Å; I244-V266 HydrophobicContact CG2-CG1 4.1Å; I244-V266 HydrophobicContact CG2-CG2 3.85Å; Q247-V266 HydrophobicContact CG-CG1 3.36Å; N256-V266 PolarHBondContact OD1-N 3.09Å; V266-S335 WeakPolarHBondContact O-CA 3.25Å; V266-S335 WeakPolarHBondContact O-CB 3.46Å; V266-S335 PolarHBondContact O-OG 2.97Å; V266-P336 WeakPolarHBondContact O-CD 3.14Å |
| 267 | L | 92 | Very high | 90.9 | Very high | 2 Ų | 2 | 60.1 Ų | 60.1 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -89.3 | 140.1 | 178.6 | -59 | 177.6 | 0 | 0 | 0 | 110.5 | R243 I244 W245 W287 A330 T333 K334 | R243-L267 HydrophobicContact CB-CD1 4.05Å; R243-L267 HydrophobicContact CB-CD2 3.88Å; R243-L267 HydrophobicContact CB-CG 4.02Å; R243-L267 HydrophobicContact CG-CD2 4.34Å; I244-L267 WeakPolarHBondContact O-CB 3.45Å; I244-L267 PolarHBondContact O-N 2.81Å; W245-L267 HydrophobicContact CB-CD1 4.35Å; W245-L267 HydrophobicContact CE3-CB 3.89Å; L267-W287 HydrophobicContact CD1-CH2 4.04Å; L267-W287 HydrophobicContact CD1-CZ3 4.11Å; L267-A330 HydrophobicContact CD1-CB 3.56Å; L267-T333 WeakPolarHBondContact CB-OG1 3.2Å; L267-T333 WeakPolarHBondContact CD2-OG1 3.34Å; L267-K334 CarbonylContact C-O 3.53Å; L267-K334 WeakPolarHBondContact CA-O 3.18Å |
| 268 | Y | 89.5 | Confident | 91.4 | Very high | 92 Ų | 92 | 56.2 Ų | 56.2 | 36% | 0.361 | 29% | 0.293 | S | S | . | . | B | Isolated β-bridge | trans | -142 | 164.5 | 179.6 | 65.1 | -87.9 | 0 | 0 | 0 | 112.5 | T333 K334 S335 P336 | Y268-T333 WeakPolarHBondContact O-CB 3.18Å; Y268-K334 VanDerWaalsContact CD1-C 3.44Å; Y268-K334 HydrophobicContact CD1-CB 4.02Å; Y268-K334 WeakPolarHBondContact CD1-O 3.42Å; Y268-K334 HydrophobicContact CD2-CB 3.6Å; Y268-K334 HydrophobicContact CD2-CD 4.07Å; Y268-K334 HydrophobicContact CD2-CG 4.39Å; Y268-K334 HydrophobicContact CE1-CB 3.6Å; Y268-K334 WeakPolarHBondContact CE1-O 3.47Å; Y268-K334 HydrophobicContact CE2-CB 3.16Å; Y268-K334 HydrophobicContact CE2-CD 3.45Å; Y268-K334 VanDerWaalsContact CE2-CD 3.45Å; Y268-K334 HydrophobicContact CE2-CG 3.92Å; Y268-K334 HydrophobicContact CG-CB 4.01Å; Y268-K334 PolarHBondContact N-O 2.89Å; Y268-K334 PolarHBondContact O-N 2.83Å; Y268-S335 VanDerWaalsContact CE1-N 3.25Å; Y268-P336 VanDerWaalsContact CE1-CD 3.48Å; Y268-P336 HydrophobicContact CE1-CG 4.4Å |
| 269 | G | 91.6 | Very high | 91.6 | Very high | 25 Ų | 25 | 54.5 Ų | 54.5 | 26% | 0.258 | 28% | 0.282 | S | S | . | . | S | Bend | trans | 97.1 | -127.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | S279 N280 | G269-S279 WeakPolarHBondContact O-CA 3.46Å; G269-N280 PolarHBondContact O-N 3.39Å; G269-N280 PolarHBondContact O-OD1 2.68Å |
| 270 | E | 94.5 | Very high | 91.9 | Very high | 84 Ų | 84 | 53.9 Ų | 53.9 | 39% | 0.393 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 156.9 | -176.6 | 64.9 | -178 | -148.4 | 0 | 0 | 111.7 | K277 I278 | E270-K277 IonicContact OE1-NZ 2.65Å; E270-K277 PolarHBondContact OE1-NZ 2.81Å; E270-I278 CarbonylContact C-O 2.79Å; E270-I278 WeakPolarHBondContact CA-O 3.38Å; E270-I278 WeakPolarHBondContact CB-O 3.11Å |
| 271 | F | 96.6 | Very high | 92.1 | Very high | 1 Ų | 1 | 54.2 Ų | 54.2 | 0% | 0.004 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 161.3 | 164.7 | 63.1 | -100.8 | 0 | 0 | 0 | 109.3 | Y38 W245 L273 I278 W287 L329 Q332 T333 | Y38-F271 HydrophobicContact CE2-CZ 4.46Å; W245-F271 HydrophobicContact CD2-CD1 4.44Å; W245-F271 HydrophobicContact CD2-CE1 4.14Å; W245-F271 AromaticContact CE2-CE1 3.59Å; W245-F271 HydrophobicContact CE3-CD1 4.33Å; W245-F271 HydrophobicContact CE3-CE1 4.49Å; W245-F271 AromaticContact CH2-CD1 3.63Å; W245-F271 HydrophobicContact CH2-CD1 3.63Å; W245-F271 AromaticContact CH2-CE1 3.83Å; W245-F271 HydrophobicContact CH2-CE1 3.83Å; W245-F271 AromaticContact CZ2-CD1 3.74Å; W245-F271 HydrophobicContact CZ2-CD1 3.74Å; W245-F271 AromaticContact CZ2-CE1 3.4Å; W245-F271 HydrophobicContact CZ2-CE1 3.4Å; W245-F271 AromaticContact CZ3-CD1 3.96Å; W245-F271 HydrophobicContact CZ3-CD1 3.96Å; W245-F271 HydrophobicContact CZ3-CE1 4.37Å; W245-F271 AromaticContact NE1-CE1 4Å; F271-L273 HydrophobicContact CD2-CB 4.33Å; F271-L273 HydrophobicContact CE2-CB 4.13Å; F271-I278 HydrophobicContact CD2-CB 4.37Å; F271-I278 HydrophobicContact CD2-CD1 4.1Å; F271-I278 HydrophobicContact CE1-CB 4.35Å; F271-I278 HydrophobicContact CE1-CG2 4.31Å; F271-I278 HydrophobicContact CE2-CB 3.93Å; F271-I278 HydrophobicContact CE2-CD1 3.65Å; F271-I278 HydrophobicContact CE2-CG1 4.17Å; F271-I278 HydrophobicContact CZ-CB 3.91Å; F271-I278 HydrophobicContact CZ-CD1 4.38Å; F271-I278 HydrophobicContact CZ-CG1 4.44Å; F271-I278 HydrophobicContact CZ-CG2 4.01Å; F271-I278 PolarHBondContact N-O 2.89Å; F271-I278 PolarHBondContact O-N 3.26Å; F271-W287 HydrophobicContact CD1-CZ2 4.46Å; F271-W287 HydrophobicContact CE1-CZ2 4.15Å; F271-L329 HydrophobicContact CB-CB 4.36Å; F271-L329 HydrophobicContact CD2-CB 4.24Å; F271-L329 HydrophobicContact CD2-CD1 4.16Å; F271-L329 HydrophobicContact CD2-CD2 3.84Å; F271-L329 HydrophobicContact CD2-CG 4.29Å; F271-L329 HydrophobicContact CE2-CD1 3.97Å; F271-L329 HydrophobicContact CE2-CD2 4.37Å; F271-L329 HydrophobicContact CG-CB 4.19Å; F271-L329 HydrophobicContact CG-CD2 4.49Å; F271-L329 HydrophobicContact CZ-CD1 4.48Å; F271-Q332 HydrophobicContact CB-CB 4.16Å; F271-T333 HydrophobicContact CB-CG2 4.16Å; F271-T333 HydrophobicContact CD1-CG2 4.35Å |
| 272 | T | 97.6 | Very high | 92.5 | Very high | 49 Ų | 49 | 49.9 Ų | 49.9 | 30% | 0.301 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 128.3 | 175.3 | -54.4 | 0 | 0 | 0 | 0 | 110.1 | K276 Q332 | T272-K276 VanDerWaalsContact CA-O 3.32Å; T272-K276 WeakPolarHBondContact CA-O 3.24Å; T272-Q332 PolarHBondContact O-NE2 2.71Å |
| 273 | L | 97.7 | Very high | 92.8 | Very high | 5 Ų | 5 | 48.4 Ų | 48.4 | 3% | 0.026 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 124.1 | 174.1 | 173.8 | 62.5 | 0 | 0 | 0 | 108.8 | Y38 F40 A47 W55 F271 N275 K276 I278 L329 | Y38-L273 HydrophobicContact CD1-CD2 3.85Å; Y38-L273 HydrophobicContact CE1-CD2 4.38Å; Y38-L273 HydrophobicContact CG-CD2 4.16Å; F40-L273 HydrophobicContact CE1-CB 4.11Å; F40-L273 HydrophobicContact CE1-CD2 3.99Å; F40-L273 HydrophobicContact CE1-CG 4.02Å; F40-L273 HydrophobicContact CZ-CB 4.5Å; F40-L273 HydrophobicContact CZ-CD2 4.05Å; F40-L273 HydrophobicContact CZ-CG 3.98Å; A47-L273 HydrophobicContact CB-CD2 3.98Å; A47-L273 HydrophobicContact CB-CG 4.32Å; W55-L273 HydrophobicContact CB-CD1 3.95Å; W55-L273 HydrophobicContact CD2-CD1 3.71Å; W55-L273 HydrophobicContact CE3-CD1 4.41Å; W55-L273 HydrophobicContact CG-CD1 3.48Å; W55-L273 VanDerWaalsContact CG-CD1 3.48Å; F271-L273 HydrophobicContact CD2-CB 4.33Å; F271-L273 HydrophobicContact CE2-CB 4.13Å; L273-N275 VanDerWaalsContact C-N 3.26Å; L273-N275 PolarHBondContact O-N 3.29Å; L273-K276 PolarHBondContact N-O 3.2Å; L273-K276 WeakPolarHBondContact O-CB 3.43Å; L273-K276 PolarHBondContact O-N 3.25Å; L273-I278 HydrophobicContact CB-CD1 3.97Å; L273-L329 HydrophobicContact CB-CD2 4.3Å; L273-L329 HydrophobicContact CD1-CD2 4.43Å |
| 274 | L | 96.4 | Very high | 92.8 | Very high | 61 Ų | 61 | 48.8 Ų | 48.8 | 32% | 0.319 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47 | 47 | -176.7 | -57.2 | -176.1 | 0 | 0 | 0 | 113.2 | F40 A47 W55 K276 | F40-L274 HydrophobicContact CZ-CB 4.33Å; A47-L274 HydrophobicContact CB-CD1 3.54Å; A47-L274 HydrophobicContact CB-CG 4.31Å; W55-L274 HydrophobicContact CB-CD2 3.94Å; W55-L274 HydrophobicContact CB-CG 4.29Å; W55-L274 WeakPolarHBondContact O-CD2 3.09Å; L274-K276 PolarHBondContact O-N 3.44Å; L274-K276 VanDerWaalsContact O-N 3.15Å |
| 275 | N | 95.1 | Very high | 93.1 | Very high | 162 Ų | 162 | 48.3 Ų | 48.3 | 87% | 0.866 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.2 | 6.6 | -177.9 | -51.2 | -43 | 0 | 0 | 0 | 115.8 | L273 | L273-N275 VanDerWaalsContact C-N 3.26Å; L273-N275 PolarHBondContact O-N 3.29Å |
| 276 | K | 95.5 | Very high | 93.2 | Very high | 76 Ų | 76 | 48.4 Ų | 48.4 | 33% | 0.33 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 128.8 | 171.7 | -64.7 | -171.6 | 172.9 | -166.9 | 0 | 110 | F40 D43 S45 T272 L273 L274 I278 | F40-K276 HydrophobicContact CB-CD 4.33Å; F40-K276 HydrophobicContact CD1-CB 3.98Å; F40-K276 HydrophobicContact CD1-CD 3.74Å; F40-K276 HydrophobicContact CD1-CG 4.45Å; F40-K276 HydrophobicContact CD2-CD 3.94Å; F40-K276 HydrophobicContact CE1-CB 3.79Å; F40-K276 HydrophobicContact CE1-CD 3.92Å; F40-K276 HydrophobicContact CE1-CG 4.31Å; F40-K276 HydrophobicContact CE2-CD 4.11Å; F40-K276 HydrophobicContact CG-CD 3.74Å; F40-K276 HydrophobicContact CZ-CB 4.46Å; F40-K276 HydrophobicContact CZ-CD 4.1Å; D43-K276 IonicContact OD1-NZ 2.66Å; D43-K276 IonicContact OD2-NZ 3.16Å; D43-K276 PolarHBondContact OD2-NZ 3.15Å; S45-K276 PolarHBondContact OG-NZ 3.35Å; T272-K276 VanDerWaalsContact CA-O 3.32Å; T272-K276 WeakPolarHBondContact CA-O 3.24Å; L273-K276 PolarHBondContact N-O 3.2Å; L273-K276 WeakPolarHBondContact O-CB 3.43Å; L273-K276 PolarHBondContact O-N 3.25Å; L274-K276 PolarHBondContact O-N 3.44Å; L274-K276 VanDerWaalsContact O-N 3.15Å; K276-I278 HydrophobicContact CB-CD1 4.43Å; K276-I278 WeakPolarHBondContact O-CD1 3.39Å |
| 277 | K | 95.7 | Very high | 93.5 | Very high | 144 Ų | 144 | 48.4 Ų | 48.4 | 63% | 0.626 | 24% | 0.243 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 129.6 | 173.2 | -71 | -175.6 | 167.6 | -147.6 | 0 | 110.4 | E270 | E270-K277 IonicContact OE1-NZ 2.65Å; E270-K277 PolarHBondContact OE1-NZ 2.81Å |
| 278 | I | 94.1 | Very high | 93.6 | Very high | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 117.7 | 177.1 | -59.3 | 93.9 | 0 | 0 | 0 | 108.5 | Y38 F40 P41 E270 F271 L273 K276 D283 | Y38-I278 HydrophobicContact CE1-CG1 4.4Å; Y38-I278 WeakPolarHBondContact OH-CG2 3.33Å; F40-I278 HydrophobicContact CD1-CD1 3.96Å; F40-I278 HydrophobicContact CD1-CG1 4.23Å; F40-I278 HydrophobicContact CE1-CD1 3.87Å; P41-I278 HydrophobicContact CG-CG2 4.31Å; E270-I278 CarbonylContact C-O 2.79Å; E270-I278 WeakPolarHBondContact CA-O 3.38Å; E270-I278 WeakPolarHBondContact CB-O 3.11Å; F271-I278 HydrophobicContact CD2-CB 4.37Å; F271-I278 HydrophobicContact CD2-CD1 4.1Å; F271-I278 HydrophobicContact CE1-CB 4.35Å; F271-I278 HydrophobicContact CE1-CG2 4.31Å; F271-I278 HydrophobicContact CE2-CB 3.93Å; F271-I278 HydrophobicContact CE2-CD1 3.65Å; F271-I278 HydrophobicContact CE2-CG1 4.17Å; F271-I278 HydrophobicContact CZ-CB 3.91Å; F271-I278 HydrophobicContact CZ-CD1 4.38Å; F271-I278 HydrophobicContact CZ-CG1 4.44Å; F271-I278 HydrophobicContact CZ-CG2 4.01Å; F271-I278 PolarHBondContact N-O 2.89Å; F271-I278 PolarHBondContact O-N 3.26Å; L273-I278 HydrophobicContact CB-CD1 3.97Å; K276-I278 HydrophobicContact CB-CD1 4.43Å; K276-I278 WeakPolarHBondContact O-CD1 3.39Å; I278-D283 HydrophobicContact CG2-CB 3.99Å |
| 279 | S | 92.6 | Very high | 93.9 | Very high | 26 Ų | 26 | 44.1 Ų | 44.1 | 18% | 0.182 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 145.3 | 169.2 | 172.5 | 0 | 0 | 0 | 0 | 110.5 | G269 Q281 Y282 | G269-S279 WeakPolarHBondContact O-CA 3.46Å; S279-Q281 PolarHBondContact O-N 2.83Å; S279-Q281 VanDerWaalsContact O-N 3.08Å; S279-Y282 PolarHBondContact O-N 3Å |
| 280 | N | 89.4 | Confident | 94 | Very high | 22 Ų | 22 | 42.9 Ų | 42.9 | 12% | 0.118 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -50.3 | -33.5 | 176.1 | 69.2 | -52.6 | 0 | 0 | 0 | 113.7 | W245 Q247 G269 Y282 D283 | W245-N280 HydrophobicContact CH2-CB 3.67Å; W245-N280 HydrophobicContact CZ2-CB 3.73Å; W245-N280 HydrophobicContact CZ3-CB 4.25Å; Q247-N280 PolarHBondContact O-ND2 3.27Å; Q247-N280 VanDerWaalsContact O-ND2 3.09Å; G269-N280 PolarHBondContact O-N 3.39Å; G269-N280 PolarHBondContact O-OD1 2.68Å; N280-Y282 PolarHBondContact O-N 3.5Å; N280-D283 PolarHBondContact O-N 2.79Å |
| 281 | Q | 88.5 | Confident | 93.8 | Very high | 107 Ų | 107 | 43.6 Ų | 43.6 | 50% | 0.5 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | -65.8 | -21.5 | 179.1 | 73.6 | -173.3 | -10.5 | 0 | 0 | 113.4 | K148 S279 | K148-Q281 PolarHBondContact NZ-O 2.81Å; S279-Q281 PolarHBondContact O-N 2.83Å; S279-Q281 VanDerWaalsContact O-N 3.08Å |
| 282 | Y | 91.6 | Very high | 93.2 | Very high | 94 Ų | 94 | 45.1 Ų | 45.1 | 37% | 0.369 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -107.2 | 13.6 | 178.6 | -63.8 | -66.7 | 0 | 0 | 0 | 112.7 | K148 A149 S279 N280 | K148-Y282 CarbonylContact C-O 3.56Å; K148-Y282 VanDerWaalsContact CA-O 3.25Å; K148-Y282 WeakPolarHBondContact CA-O 3.38Å; A149-Y282 PolarHBondContact N-O 3Å; S279-Y282 PolarHBondContact O-N 3Å; N280-Y282 PolarHBondContact O-N 3.5Å |
| 283 | D | 92.6 | Very high | 92.3 | Very high | 5 Ų | 5 | 44.9 Ų | 44.9 | 3% | 0.027 | 24% | 0.24 | C | C | . | . | B | Isolated β-bridge | trans | -123.9 | 121.4 | -179.5 | -170 | -7.8 | 0 | 0 | 0 | 110.4 | Y38 A149 W245 I278 N280 T285 | Y38-D283 PolarHBondContact OH-OD2 3.45Å; A149-D283 HydrophobicContact CB-CB 4.19Å; W245-D283 HydrophobicContact CZ2-CB 4.29Å; W245-D283 PolarHBondContact NE1-OD2 2.73Å; I278-D283 HydrophobicContact CG2-CB 3.99Å; N280-D283 PolarHBondContact O-N 2.79Å; D283-T285 VanDerWaalsContact CG-OG1 3.24Å; D283-T285 VanDerWaalsContact OD1-CB 3.26Å; D283-T285 WeakPolarHBondContact OD1-CB 3.45Å; D283-T285 VanDerWaalsContact OD1-CG2 3.26Å; D283-T285 WeakPolarHBondContact OD1-CG2 3.09Å; D283-T285 PolarHBondContact OD1-N 3.44Å; D283-T285 PolarHBondContact OD1-OG1 3.21Å; D283-T285 PolarHBondContact OD2-OG1 3.33Å; D283-T285 VanDerWaalsContact OD2-OG1 3.13Å |
| 284 | S | 89.1 | Confident | 92.1 | Very high | 53 Ų | 53 | 50.4 Ų | 50.4 | 37% | 0.371 | 26% | 0.263 | S | S | . | . | trans | -94.4 | -3.9 | 178.7 | 67.9 | 0 | 0 | 0 | 0 | 113.2 | A149 | A149-S284 PolarHBondContact O-N 2.9Å; A149-S284 PolarHBondContact O-OG 2.64Å | ||
| 285 | T | 94.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | trans | -76.8 | 148.4 | -178.3 | 70.6 | 0 | 0 | 0 | 0 | 111.1 | Y38 G150 M151 G246 D283 | Y38-T285 HydrophobicContact CE2-CG2 4.3Å; G150-T285 VanDerWaalsContact C-CG2 3.49Å; M151-T285 HydrophobicContact CB-CG2 3.7Å; G246-T285 WeakPolarHBondContact CA-O 3.47Å; D283-T285 VanDerWaalsContact CG-OG1 3.24Å; D283-T285 VanDerWaalsContact OD1-CB 3.26Å; D283-T285 WeakPolarHBondContact OD1-CB 3.45Å; D283-T285 VanDerWaalsContact OD1-CG2 3.26Å; D283-T285 WeakPolarHBondContact OD1-CG2 3.09Å; D283-T285 PolarHBondContact OD1-N 3.44Å; D283-T285 PolarHBondContact OD1-OG1 3.21Å; D283-T285 PolarHBondContact OD2-OG1 3.33Å; D283-T285 VanDerWaalsContact OD2-OG1 3.13Å | ||
| 286 | V | 94 | Very high | 92.1 | Very high | 6 Ų | 6 | 39.8 Ų | 39.8 | 4% | 0.036 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 110.5 | 175.5 | 178.9 | 0 | 0 | 0 | 0 | 107.6 | I244 W245 F298 S299 R303 | I244-V286 HydrophobicContact CD1-CG1 4.1Å; I244-V286 HydrophobicContact CG1-CG1 4.32Å; W245-V286 VanDerWaalsContact O-CA 3.3Å; W245-V286 WeakPolarHBondContact O-CA 3.05Å; V286-F298 WeakPolarHBondContact O-CD2 3.49Å; V286-S299 PolarHBondContact O-N 3.12Å; V286-R303 HydrophobicContact CB-CB 4.45Å; V286-R303 HydrophobicContact CG1-CB 3.91Å; V286-R303 HydrophobicContact CG2-CB 3.64Å |
| 287 | W | 95.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 155.7 | -179.1 | 56.6 | -99.9 | 0 | 0 | 0 | 111.3 | M151 W245 L267 F271 V289 W296 C297 F326 L329 A330 | M151-W287 HydrophobicContact CE-CB 4.37Å; W245-W287 HydrophobicContact CB-CD2 3.64Å; W245-W287 HydrophobicContact CB-CE3 4.03Å; W245-W287 HydrophobicContact CB-CG 4.2Å; W245-W287 HydrophobicContact CB-CH2 3.89Å; W245-W287 HydrophobicContact CB-CZ2 3.48Å; W245-W287 VanDerWaalsContact CB-CZ2 3.48Å; W245-W287 HydrophobicContact CB-CZ3 4.15Å; W245-W287 AromaticContact CD1-CD1 3.73Å; W245-W287 AromaticContact CD1-CE2 3.64Å; W245-W287 AromaticContact CD1-NE1 3.13Å; W245-W287 HydrophobicContact CD2-CZ2 4.01Å; W245-W287 HydrophobicContact CE3-CZ2 4.48Å; W245-W287 HydrophobicContact CG-CD2 4.26Å; W245-W287 AromaticContact CG-CE2 3.5Å; W245-W287 VanDerWaalsContact CG-CE2 3.5Å; W245-W287 HydrophobicContact CG-CH2 4.39Å; W245-W287 AromaticContact CG-CZ2 3.58Å; W245-W287 HydrophobicContact CG-CZ2 3.58Å; W245-W287 AromaticContact CG-NE1 3.52Å; W245-W287 PolarHBondContact N-O 3.47Å; W245-W287 AromaticContact NE1-NE1 3.82Å; W245-W287 PolarHBondContact O-N 3.15Å; W245-W287 VanDerWaalsContact O-N 3.11Å; L267-W287 HydrophobicContact CD1-CH2 4.04Å; L267-W287 HydrophobicContact CD1-CZ3 4.11Å; F271-W287 HydrophobicContact CD1-CZ2 4.46Å; F271-W287 HydrophobicContact CE1-CZ2 4.15Å; W287-V289 HydrophobicContact CE3-CG1 4.33Å; W287-V289 HydrophobicContact CZ3-CG1 4.14Å; W287-W296 HydrophobicContact CB-CZ2 4.38Å; W287-C297 CarbonylContact C-O 3.54Å; W287-C297 WeakPolarHBondContact CA-O 3.49Å; W287-C297 VanDerWaalsContact CB-O 3.27Å; W287-C297 WeakPolarHBondContact CB-O 3.29Å; W287-F326 HydrophobicContact CB-CE1 4.49Å; W287-F326 AromaticContact CD2-CD1 3.57Å; W287-F326 HydrophobicContact CD2-CD1 3.57Å; W287-F326 AromaticContact CD2-CE1 3.97Å; W287-F326 HydrophobicContact CD2-CE1 3.97Å; W287-F326 AromaticContact CE2-CD1 3.86Å; W287-F326 HydrophobicContact CE3-CB 4.38Å; W287-F326 AromaticContact CE3-CD1 3.73Å; W287-F326 HydrophobicContact CE3-CD1 3.73Å; W287-F326 HydrophobicContact CE3-CG 4.49Å; W287-F326 AromaticContact CG-CD1 3.98Å; W287-F326 HydrophobicContact CG-CD1 3.98Å; W287-F326 AromaticContact CG-CE1 3.92Å; W287-F326 HydrophobicContact CG-CE1 3.92Å; W287-F326 HydrophobicContact CH2-CD1 4.42Å; W287-F326 HydrophobicContact CZ2-CD1 4.29Å; W287-F326 HydrophobicContact CZ3-CB 4.35Å; W287-F326 HydrophobicContact CZ3-CD1 4.16Å; W287-L329 HydrophobicContact CH2-CB 4.21Å; W287-L329 HydrophobicContact CZ2-CB 4.39Å; W287-A330 HydrophobicContact CH2-CB 4.03Å; W287-A330 HydrophobicContact CZ3-CB 4.05Å |
| 288 | L | 94.3 | Very high | 92.2 | Very high | 4 Ų | 4 | 29.4 Ų | 29.4 | 2% | 0.021 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 145.9 | -172.4 | -55.2 | 88.5 | 0 | 0 | 0 | 110.9 | P235 L242 R243 I244 W296 C297 | P235-L288 HydrophobicContact CB-CD2 4.43Å; P235-L288 HydrophobicContact CG-CD2 3.69Å; L242-L288 HydrophobicContact CB-CD2 4.46Å; L242-L288 HydrophobicContact CD1-CD2 4.19Å; L242-L288 HydrophobicContact CD2-CB 4.4Å; R243-L288 CarbonylContact O-C 3.51Å; R243-L288 VanDerWaalsContact O-CA 3.28Å; R243-L288 WeakPolarHBondContact O-CA 3.31Å; I244-L288 HydrophobicContact CB-CD2 4.23Å; I244-L288 HydrophobicContact CB-CG 4.1Å; I244-L288 HydrophobicContact CD1-CD1 4.21Å; I244-L288 HydrophobicContact CD1-CD2 3.78Å; I244-L288 HydrophobicContact CD1-CG 3.84Å; I244-L288 HydrophobicContact CG1-CD1 4.5Å; I244-L288 HydrophobicContact CG1-CD2 4.22Å; I244-L288 HydrophobicContact CG1-CG 3.87Å; L288-W296 CarbonylContact O-C 3.48Å; L288-W296 VanDerWaalsContact O-CA 3.3Å; L288-W296 WeakPolarHBondContact O-CA 3.32Å; L288-W296 VanDerWaalsContact O-CD1 3.26Å; L288-C297 HydrophobicContact CB-CB 4.1Å; L288-C297 HydrophobicContact CD1-CB 3.86Å; L288-C297 PolarHBondContact N-O 2.54Å; L288-C297 PolarHBondContact O-N 3.36Å |
| 289 | V | 95.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 133 | 168.2 | -67.2 | 0 | 0 | 0 | 0 | 110.4 | L242 R243 W287 Y323 F326 A330 | L242-V289 WeakPolarHBondContact CA-O 3.16Å; R243-V289 HydrophobicContact CB-CG2 3.94Å; R243-V289 PolarHBondContact N-O 3.25Å; R243-V289 PolarHBondContact O-N 2.73Å; W287-V289 HydrophobicContact CE3-CG1 4.33Å; W287-V289 HydrophobicContact CZ3-CG1 4.14Å; V289-Y323 HydrophobicContact CB-CE2 4.23Å; V289-F326 HydrophobicContact CG1-CB 3.69Å; V289-A330 HydrophobicContact CG2-CB 3.77Å |
| 290 | S | 94.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 144.7 | 174.3 | 57.8 | 0 | 0 | 0 | 0 | 112.2 | G292 V295 Y323 | S290-G292 WeakPolarHBondContact CB-O 3.5Å; S290-G292 PolarHBondContact O-N 3.49Å; S290-G292 PolarHBondContact OG-O 3.02Å; S290-V295 PolarHBondContact N-O 2.61Å; S290-V295 PolarHBondContact OG-N 2.72Å; S290-V295 PolarHBondContact OG-O 3.19Å; S290-Y323 WeakPolarHBondContact O-CE2 3.46Å; S290-Y323 PolarHBondContact O-OH 3.05Å |
| 291 | K | 90.4 | Very high | 92.2 | Very high | 98 Ų | 98 | 27.9 Ų | 27.9 | 43% | 0.426 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -75.4 | -0.4 | 168.2 | -69.3 | -168.4 | 174.1 | -172.7 | 0 | 112.8 | S241 R243 E265 | S241-K291 PolarHBondContact O-N 2.96Å; R243-K291 HydrophobicContact CG-CG 4.32Å; E265-K291 IonicContact OE1-NZ 2.87Å; E265-K291 PolarHBondContact OE1-NZ 2.83Å; E265-K291 WeakPolarHBondContact OE2-CE 3.34Å; E265-K291 IonicContact OE2-NZ 2.64Å; E265-K291 PolarHBondContact OE2-NZ 3.17Å |
| 292 | G | 83.2 | Confident | 92.1 | Very high | 33 Ų | 33 | 24.7 Ų | 24.7 | 34% | 0.34 | 14% | 0.142 | S | C | . | . | S | Bend | trans | -171.5 | 148.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | K240 S290 | K240-G292 WeakPolarHBondContact CD-O 3.49Å; K240-G292 PolarHBondContact NZ-O 2.99Å; S290-G292 WeakPolarHBondContact CB-O 3.5Å; S290-G292 PolarHBondContact O-N 3.49Å; S290-G292 PolarHBondContact OG-O 3.02Å |
| 293 | G | 79.5 | Confident | 91.8 | Very high | 45 Ų | 45 | 21 Ų | 21 | 46% | 0.464 | 13% | 0.127 | S | C | . | . | S | Bend | trans | 87.7 | 15.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | V295 | G293-V295 WeakPolarHBondContact O-CG2 3.23Å; G293-V295 PolarHBondContact O-N 2.75Å; G293-V295 VanDerWaalsContact O-N 3.08Å |
| 294 | K | 92.9 | Very high | 91.3 | Very high | 120 Ų | 120 | 22.5 Ų | 22.5 | 52% | 0.522 | 14% | 0.135 | S | C | . | . | S | Bend | trans | 50.2 | 36.8 | 170.8 | -57 | -177.5 | -178.7 | 177.8 | 0 | 115.1 | A320 Y323 | K294-A320 HydrophobicContact CD-CB 3.97Å; K294-Y323 VanDerWaalsContact CA-CG 3.46Å; K294-Y323 HydrophobicContact CB-CD1 3.86Å; K294-Y323 HydrophobicContact CB-CE1 4.39Å; K294-Y323 HydrophobicContact CB-CG 3.93Å; K294-Y323 HydrophobicContact CG-CD1 3.83Å; K294-Y323 HydrophobicContact CG-CE1 4.07Å; K294-Y323 HydrophobicContact CG-CG 4.41Å |
| 295 | V | 95.3 | Very high | 90.9 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.006 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 129.1 | 175.9 | -167.2 | 0 | 0 | 0 | 0 | 110.1 | K240 S290 G293 C316 E318 Y323 | K240-V295 HydrophobicContact CD-CG2 4.11Å; S290-V295 PolarHBondContact N-O 2.61Å; S290-V295 PolarHBondContact OG-N 2.72Å; S290-V295 PolarHBondContact OG-O 3.19Å; G293-V295 WeakPolarHBondContact O-CG2 3.23Å; G293-V295 PolarHBondContact O-N 2.75Å; G293-V295 VanDerWaalsContact O-N 3.08Å; V295-C316 HydrophobicContact CG1-CB 4.07Å; V295-E318 HydrophobicContact CG1-CG 4.38Å; V295-E318 HydrophobicContact CG2-CG 3.96Å; V295-Y323 WeakPolarHBondContact O-CD2 3.23Å |
| 296 | W | 96.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 146.2 | 166.2 | 171.8 | 84.5 | 0 | 0 | 0 | 109.9 | V36 M151 V153 W287 L288 F298 C316 L317 I322 F326 | V36-W296 HydrophobicContact CG1-CH2 4.38Å; V36-W296 HydrophobicContact CG2-CH2 4.23Å; V36-W296 HydrophobicContact CG2-CZ3 4.45Å; M151-W296 HydrophobicContact CE-CH2 3.9Å; M151-W296 HydrophobicContact CE-CZ2 3.59Å; M151-W296 HydrophobicContact SD-CH2 4.24Å; M151-W296 HydrophobicContact SD-CZ2 3.88Å; V153-W296 HydrophobicContact CG1-CZ3 4.39Å; V153-W296 HydrophobicContact CG2-CH2 3.68Å; V153-W296 HydrophobicContact CG2-CZ3 4.3Å; W287-W296 HydrophobicContact CB-CZ2 4.38Å; L288-W296 CarbonylContact O-C 3.48Å; L288-W296 VanDerWaalsContact O-CA 3.3Å; L288-W296 WeakPolarHBondContact O-CA 3.32Å; L288-W296 VanDerWaalsContact O-CD1 3.26Å; W296-F298 HydrophobicContact CH2-CB 3.66Å; W296-F298 HydrophobicContact CH2-CG 4.45Å; W296-F298 HydrophobicContact CZ2-CB 4.02Å; W296-F298 HydrophobicContact CZ3-CB 4.1Å; W296-C316 CarbonylContact O-C 3.5Å; W296-C316 VanDerWaalsContact O-CA 3.23Å; W296-C316 WeakPolarHBondContact O-CA 3.43Å; W296-L317 HydrophobicContact CE3-CB 4.45Å; W296-L317 HydrophobicContact CE3-CD1 4.36Å; W296-L317 HydrophobicContact CE3-CG 4.47Å; W296-L317 HydrophobicContact CZ3-CD1 4.11Å; W296-L317 PolarHBondContact N-O 3.41Å; W296-L317 VanDerWaalsContact N-O 3.09Å; W296-L317 PolarHBondContact O-N 3.4Å; W296-I322 HydrophobicContact CB-CG2 3.88Å; W296-I322 HydrophobicContact CD2-CG2 3.48Å; W296-I322 VanDerWaalsContact CD2-CG2 3.48Å; W296-I322 HydrophobicContact CE3-CG2 3.56Å; W296-I322 HydrophobicContact CG-CG2 3.66Å; W296-I322 HydrophobicContact CZ3-CG2 4.18Å; W296-F326 VanDerWaalsContact CD1-CB 3.4Å; W296-F326 AromaticContact CD1-CD1 3.94Å; W296-F326 AromaticContact CD1-CD2 3.7Å; W296-F326 AromaticContact CD1-CG 3.41Å; W296-F326 VanDerWaalsContact CD1-CG 3.41Å; W296-F326 HydrophobicContact CD2-CD2 4.39Å; W296-F326 AromaticContact CE2-CD2 3.75Å; W296-F326 AromaticContact CE2-CE2 3.7Å; W296-F326 AromaticContact CE2-CG 3.96Å; W296-F326 AromaticContact CE2-CZ 3.86Å; W296-F326 HydrophobicContact CG-CB 4.44Å; W296-F326 HydrophobicContact CG-CD2 4.31Å; W296-F326 HydrophobicContact CG-CG 4.4Å; W296-F326 HydrophobicContact CZ2-CD2 4.22Å; W296-F326 AromaticContact CZ2-CE1 4Å; W296-F326 HydrophobicContact CZ2-CE1 4Å; W296-F326 AromaticContact CZ2-CE2 3.68Å; W296-F326 HydrophobicContact CZ2-CE2 3.68Å; W296-F326 AromaticContact CZ2-CZ 3.55Å; W296-F326 HydrophobicContact CZ2-CZ 3.55Å; W296-F326 AromaticContact NE1-CD1 3.21Å; W296-F326 AromaticContact NE1-CD2 3.31Å; W296-F326 VanDerWaalsContact NE1-CD2 3.31Å; W296-F326 AromaticContact NE1-CE1 3.56Å; W296-F326 AromaticContact NE1-CE2 3.66Å; W296-F326 AromaticContact NE1-CG 3.06Å; W296-F326 AromaticContact NE1-CZ 3.77Å |
| 297 | C | 95.9 | Very high | 90 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.007 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 159.4 | 176.6 | -49.6 | 0 | 0 | 0 | 0 | 112.9 | I238 W287 L288 V314 L315 C316 | I238-C297 WeakPolarHBondContact CD1-SG 3.23Å; W287-C297 CarbonylContact C-O 3.54Å; W287-C297 WeakPolarHBondContact CA-O 3.49Å; W287-C297 VanDerWaalsContact CB-O 3.27Å; W287-C297 WeakPolarHBondContact CB-O 3.29Å; L288-C297 HydrophobicContact CB-CB 4.1Å; L288-C297 HydrophobicContact CD1-CB 3.86Å; L288-C297 PolarHBondContact N-O 2.54Å; L288-C297 PolarHBondContact O-N 3.36Å; C297-V314 HydrophobicContact CB-CG1 3.86Å; C297-L315 CarbonylContact C-O 3.57Å; C297-L315 WeakPolarHBondContact CA-O 3.22Å; C297-L315 WeakPolarHBondContact CB-O 3.48Å; C297-C316 HydrophobicContact CB-CB 3.98Å; C297-C316 WeakPolarHBondContact CB-SG 3.28Å; C297-C316 WeakPolarHBondContact SG-CB 3.36Å; C297-C316 CovalentContact SG-SG 2.03Å; C297-C316 PolarHBondContact SG-SG 3.28Å |
| 298 | F | 95.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 130.2 | 176.8 | 173.5 | -137.8 | 0 | 0 | 0 | 110 | V125 T127 M151 V153 V286 W296 L315 | V125-F298 HydrophobicContact CB-CD1 4.18Å; V125-F298 HydrophobicContact CB-CE1 4.15Å; V125-F298 HydrophobicContact CG1-CD1 3.81Å; V125-F298 HydrophobicContact CG1-CE1 3.71Å; T127-F298 HydrophobicContact CG2-CE2 3.63Å; T127-F298 HydrophobicContact CG2-CZ 3.48Å; T127-F298 VanDerWaalsContact CG2-CZ 3.48Å; M151-F298 HydrophobicContact CB-CE2 4.11Å; M151-F298 HydrophobicContact CB-CZ 3.91Å; M151-F298 HydrophobicContact CE-CB 3.75Å; M151-F298 HydrophobicContact CE-CD1 3.82Å; M151-F298 HydrophobicContact CE-CD2 2.93Å; M151-F298 HydrophobicContact CE-CE1 4.06Å; M151-F298 HydrophobicContact CE-CE2 3.26Å; M151-F298 HydrophobicContact CE-CG 3.23Å; M151-F298 HydrophobicContact CE-CZ 3.8Å; M151-F298 HydrophobicContact CG-CZ 4.45Å; V153-F298 HydrophobicContact CB-CD1 4.17Å; V153-F298 HydrophobicContact CG2-CB 4.45Å; V153-F298 HydrophobicContact CG2-CD1 3.43Å; V153-F298 VanDerWaalsContact CG2-CD1 3.43Å; V153-F298 HydrophobicContact CG2-CE1 3.84Å; V153-F298 HydrophobicContact CG2-CG 4.17Å; V286-F298 WeakPolarHBondContact O-CD2 3.49Å; W296-F298 HydrophobicContact CH2-CB 3.66Å; W296-F298 HydrophobicContact CH2-CG 4.45Å; W296-F298 HydrophobicContact CZ2-CB 4.02Å; W296-F298 HydrophobicContact CZ3-CB 4.1Å; F298-L315 PolarHBondContact N-O 3.21Å; F298-L315 PolarHBondContact O-N 3.01Å |
| 299 | S | 93.5 | Very high | 88.9 | Confident | 10 Ų | 10 | 40.8 Ų | 40.8 | 7% | 0.07 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 135.2 | 171.4 | 169.1 | 0 | 0 | 0 | 0 | 109.8 | V286 S301 | V286-S299 PolarHBondContact O-N 3.12Å; S299-S301 PolarHBondContact O-N 2.81Å; S299-S301 PolarHBondContact OG-N 3.21Å; S299-S301 VanDerWaalsContact OG-N 3.08Å; S299-S301 PolarHBondContact OG-O 2.7Å |
| 300 | N | 93.1 | Very high | 88.6 | Confident | 4 Ų | 4 | 43.6 Ų | 43.6 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -79.6 | -5.1 | 173.3 | 71.8 | -0.4 | 0 | 0 | 0 | 113.2 | R111 V125 E171 G313 | R111-N300 PolarHBondContact N-ND2 3.4Å; V125-N300 HydrophobicContact CG1-CB 3.5Å; V125-N300 VanDerWaalsContact CG1-CB 3.5Å; E171-N300 PolarHBondContact OE1-ND2 2.88Å; E171-N300 PolarHBondContact OE2-ND2 2.69Å; N300-G313 PolarHBondContact N-O 3.46Å; N300-G313 PolarHBondContact OD1-N 2.9Å; N300-G313 PolarHBondContact OD1-O 2.81Å |
| 301 | S | 89.2 | Confident | 88.3 | Confident | 4 Ų | 4 | 43.8 Ų | 43.8 | 3% | 0.028 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -118.5 | 146.7 | -174.6 | -64.3 | 0 | 0 | 0 | 0 | 111.2 | P109 S299 N312 | P109-S301 WeakPolarHBondContact CB-OG 3.41Å; P109-S301 WeakPolarHBondContact CG-OG 3.3Å; S299-S301 PolarHBondContact O-N 2.81Å; S299-S301 PolarHBondContact OG-N 3.21Å; S299-S301 VanDerWaalsContact OG-N 3.08Å; S299-S301 PolarHBondContact OG-O 2.7Å; S301-N312 VanDerWaalsContact OG-CB 3.32Å; S301-N312 WeakPolarHBondContact OG-CB 3.35Å |
| 302 | P | 87.2 | Confident | 88.2 | Confident | 41 Ų | 41 | 39.5 Ų | 39.5 | 27% | 0.266 | 20% | 0.204 | S | C | . | . | trans | -61.2 | 145.5 | 175.2 | -22.9 | 33.9 | 0 | 0 | 0 | 113 | L304 Y307 | P302-L304 HydrophobicContact CB-CD1 4.34Å; P302-L304 HydrophobicContact CB-CG 4.41Å; P302-L304 PolarHBondContact O-N 3.13Å; P302-Y307 HydrophobicContact CB-CD1 4.47Å; P302-Y307 HydrophobicContact CB-CD2 4.39Å; P302-Y307 HydrophobicContact CB-CE2 4.46Å; P302-Y307 HydrophobicContact CB-CG 4.38Å; P302-Y307 HydrophobicContact CG-CD1 4.23Å; P302-Y307 HydrophobicContact CG-CE1 3.96Å; P302-Y307 HydrophobicContact CG-CE2 4.45Å | ||
| 303 | R | 84.9 | Confident | 88.6 | Confident | 15 Ų | 15 | 38.2 Ų | 38.2 | 6% | 0.057 | 19% | 0.191 | C | C | . | . | trans | -93.3 | 83.6 | 173.4 | 176.6 | 165.8 | -162.3 | -87.4 | 2.3 | 110.8 | D233 I244 L254 V286 | D233-R303 WeakPolarHBondContact OD2-CD 3.38Å; D233-R303 WeakPolarHBondContact OD2-CG 3.12Å; D233-R303 IonicContact OD2-CZ 2.72Å; D233-R303 IonicContact OD2-NE 2.64Å; D233-R303 PolarHBondContact OD2-NE 3.47Å; I244-R303 VanDerWaalsContact CD1-CD 3.4Å; L254-R303 VanDerWaalsContact CB-CZ 3.5Å; L254-R303 VanDerWaalsContact CB-NH2 3.29Å; L254-R303 HydrophobicContact CD1-CG 4.12Å; L254-R303 PolarHBondContact O-NH1 3.48Å; V286-R303 HydrophobicContact CB-CB 4.45Å; V286-R303 HydrophobicContact CG1-CB 3.91Å; V286-R303 HydrophobicContact CG2-CB 3.64Å | ||
| 304 | L | 82.7 | Confident | 89.3 | Confident | 37 Ų | 37 | 36.5 Ų | 36.5 | 19% | 0.194 | 17% | 0.171 | C | C | . | . | trans | -137.9 | 147.2 | 177.1 | -59.3 | 171.4 | 0 | 0 | 0 | 109.6 | P302 T306 Y307 E308 | P302-L304 HydrophobicContact CB-CD1 4.34Å; P302-L304 HydrophobicContact CB-CG 4.41Å; P302-L304 PolarHBondContact O-N 3.13Å; L304-T306 PolarHBondContact O-N 3.32Å; L304-T306 VanDerWaalsContact O-N 3.13Å; L304-Y307 HydrophobicContact CB-CD2 3.99Å; L304-Y307 HydrophobicContact CD1-CD2 3.97Å; L304-Y307 HydrophobicContact CD1-CE2 4Å; L304-Y307 HydrophobicContact CG-CD2 4.47Å; L304-Y307 PolarHBondContact O-N 3.15Å; L304-E308 PolarHBondContact O-N 3.42Å | ||
| 305 | R | 80.5 | Confident | 89.4 | Confident | 177 Ų | 177 | 30.9 Ų | 30.9 | 67% | 0.668 | 15% | 0.147 | S | C | * | . | G | 310 helix | trans | -52 | -37.2 | 175.4 | -171.5 | 176.6 | -178.5 | -175.8 | -0.5 | 113 | Y252 L254 Y307 E308 | Y252-R305 PolarHBondContact O-N 3.46Å; L254-R305 HydrophobicContact CD2-CB 3.99Å; L254-R305 HydrophobicContact CD2-CG 4.35Å; R305-Y307 PolarHBondContact O-N 2.9Å; R305-E308 PolarHBondContact O-N 3.4Å |
| 306 | T | 82.7 | Confident | 89.4 | Confident | 58 Ų | 58 | 30.8 Ų | 30.8 | 36% | 0.356 | 15% | 0.146 | S | C | . | . | G | 310 helix | trans | -69.1 | -16.7 | 179.1 | 50.4 | 0 | 0 | 0 | 0 | 114.1 | Y252 L304 Q309 Y310 | Y252-T306 HydrophobicContact CD1-CG2 4.09Å; Y252-T306 HydrophobicContact CE1-CG2 4.19Å; L304-T306 PolarHBondContact O-N 3.32Å; L304-T306 VanDerWaalsContact O-N 3.13Å; T306-Q309 PolarHBondContact O-NE2 2.77Å; T306-Y310 WeakPolarHBondContact O-CE2 3.3Å |
| 307 | Y | 86.1 | Confident | 89.4 | Confident | 38 Ų | 38 | 30.8 Ų | 30.8 | 15% | 0.149 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -99.4 | -10.6 | 179 | -80.9 | -101 | 0 | 0 | 0 | 113.3 | Q97 P109 P302 L304 R305 Q309 Y310 | Q97-Y307 PolarHBondContact NE2-OH 3.25Å; Q97-Y307 VanDerWaalsContact NE2-OH 3.11Å; P109-Y307 HydrophobicContact CB-CD1 3.73Å; P109-Y307 HydrophobicContact CB-CE1 3.77Å; P109-Y307 HydrophobicContact CG-CD1 4.19Å; P302-Y307 HydrophobicContact CB-CD1 4.47Å; P302-Y307 HydrophobicContact CB-CD2 4.39Å; P302-Y307 HydrophobicContact CB-CE2 4.46Å; P302-Y307 HydrophobicContact CB-CG 4.38Å; P302-Y307 HydrophobicContact CG-CD1 4.23Å; P302-Y307 HydrophobicContact CG-CE1 3.96Å; P302-Y307 HydrophobicContact CG-CE2 4.45Å; L304-Y307 HydrophobicContact CB-CD2 3.99Å; L304-Y307 HydrophobicContact CD1-CD2 3.97Å; L304-Y307 HydrophobicContact CD1-CE2 4Å; L304-Y307 HydrophobicContact CG-CD2 4.47Å; L304-Y307 PolarHBondContact O-N 3.15Å; R305-Y307 PolarHBondContact O-N 2.9Å; Y307-Q309 PolarHBondContact O-N 3.41Å; Y307-Y310 AromaticContact CD1-CD2 3.93Å; Y307-Y310 HydrophobicContact CD1-CD2 3.93Å; Y307-Y310 HydrophobicContact CD1-CE2 4.47Å; Y307-Y310 HydrophobicContact CE1-CD2 4.49Å; Y307-Y310 HydrophobicContact CG-CD2 4.26Å; Y307-Y310 PolarHBondContact O-N 2.96Å |
| 308 | E | 82.3 | Confident | 89.4 | Confident | 60 Ų | 60 | 33.7 Ų | 33.7 | 28% | 0.28 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -33.3 | 179.5 | -69.8 | -176.3 | 124.8 | 0 | 0 | 112.5 | K225 L254 L304 R305 Y310 | K225-E308 PolarHBondContact NZ-O 3.17Å; L254-E308 HydrophobicContact CD1-CG 4Å; L254-E308 WeakPolarHBondContact CD1-OE1 3.34Å; L254-E308 HydrophobicContact CD2-CG 4.44Å; L254-E308 WeakPolarHBondContact CD2-OE1 3.45Å; L304-E308 PolarHBondContact O-N 3.42Å; R305-E308 PolarHBondContact O-N 3.4Å; E308-Y310 PolarHBondContact O-N 3.47Å |
| 309 | Q | 84.8 | Confident | 89.4 | Confident | 114 Ų | 114 | 34.4 Ų | 34.4 | 53% | 0.533 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -12.8 | 178.3 | 66.9 | -175.8 | -29.4 | 0 | 0 | 114.3 | P227 T306 Y307 | P227-Q309 WeakPolarHBondContact CA-O 3.35Å; P227-Q309 VanDerWaalsContact CB-O 3.22Å; P227-Q309 WeakPolarHBondContact CB-O 3.2Å; T306-Q309 PolarHBondContact O-NE2 2.77Å; Y307-Q309 PolarHBondContact O-N 3.41Å |
| 310 | Y | 88.7 | Confident | 89.5 | Confident | 59 Ų | 59 | 36 Ų | 36 | 23% | 0.231 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -96.9 | 161.2 | -178.7 | -57.4 | -45.5 | 0 | 0 | 0 | 111.7 | S107 K225 T306 Y307 E308 | S107-Y310 WeakPolarHBondContact O-CB 3.32Å; S107-Y310 WeakPolarHBondContact O-CD1 3.03Å; K225-Y310 PolarHBondContact NZ-O 2.75Å; T306-Y310 WeakPolarHBondContact O-CE2 3.3Å; Y307-Y310 AromaticContact CD1-CD2 3.93Å; Y307-Y310 HydrophobicContact CD1-CD2 3.93Å; Y307-Y310 HydrophobicContact CD1-CE2 4.47Å; Y307-Y310 HydrophobicContact CE1-CD2 4.49Å; Y307-Y310 HydrophobicContact CG-CD2 4.26Å; Y307-Y310 PolarHBondContact O-N 2.96Å; E308-Y310 PolarHBondContact O-N 3.47Å |
| 311 | G | 88.9 | Confident | 89.6 | Confident | 5 Ų | 5 | 39.5 Ų | 39.5 | 5% | 0.052 | 19% | 0.194 | C | C | . | . | trans | -64.9 | 142 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | P109 K225 | P109-G311 WeakPolarHBondContact CD-O 3.39Å; P109-G311 WeakPolarHBondContact CG-O 3.49Å; K225-G311 WeakPolarHBondContact O-CA 3.44Å | ||
| 312 | N | 88.7 | Confident | 90.1 | Very high | 7 Ų | 7 | 39.3 Ų | 39.3 | 4% | 0.037 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 161.7 | 176.6 | 61.4 | 56.5 | 0 | 0 | 0 | 112 | A224 K225 S301 | A224-N312 WeakPolarHBondContact CA-O 3.45Å; K225-N312 WeakPolarHBondContact CE-ND2 3.3Å; K225-N312 WeakPolarHBondContact CE-OD1 3.31Å; K225-N312 PolarHBondContact N-O 3.41Å; K225-N312 PolarHBondContact NZ-ND2 3.14Å; K225-N312 PolarHBondContact O-N 3.11Å; S301-N312 VanDerWaalsContact OG-CB 3.32Å; S301-N312 WeakPolarHBondContact OG-CB 3.35Å |
| 313 | G | 91.7 | Very high | 90.6 | Very high | 6 Ų | 6 | 38.4 Ų | 38.4 | 6% | 0.062 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 147.2 | -180 | 0 | 0 | 0 | 0 | 0 | 113.4 | E171 F223 N300 | E171-G313 WeakPolarHBondContact OE2-CA 3.15Å; F223-G313 CarbonylContact O-C 3.54Å; F223-G313 WeakPolarHBondContact O-CA 3.47Å; N300-G313 PolarHBondContact N-O 3.46Å; N300-G313 PolarHBondContact OD1-N 2.9Å; N300-G313 PolarHBondContact OD1-O 2.81Å |
| 314 | V | 93.7 | Very high | 91.2 | Very high | 9 Ų | 9 | 40.5 Ų | 40.5 | 6% | 0.055 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 127.4 | 174 | -178.9 | 0 | 0 | 0 | 0 | 109.3 | A222 F223 F237 C297 | A222-V314 WeakPolarHBondContact CA-O 3.28Å; F223-V314 PolarHBondContact N-O 3.21Å; F223-V314 PolarHBondContact O-N 3.09Å; F237-V314 HydrophobicContact CE1-CB 4.47Å; F237-V314 HydrophobicContact CZ-CB 4.33Å; F237-V314 HydrophobicContact CZ-CG1 4.27Å; C297-V314 HydrophobicContact CB-CG1 3.86Å |
| 315 | L | 95.2 | Very high | 91.9 | Very high | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 129.8 | 170 | 172.7 | 61.9 | 0 | 0 | 0 | 109.1 | W123 V125 V153 V155 L220 C297 F298 L317 | W123-L315 HydrophobicContact CE3-CD1 4.33Å; W123-L315 HydrophobicContact CH2-CB 4.47Å; W123-L315 HydrophobicContact CH2-CD1 4.23Å; W123-L315 HydrophobicContact CZ3-CD1 3.7Å; V125-L315 HydrophobicContact CB-CD2 4.38Å; V125-L315 HydrophobicContact CG2-CB 4.38Å; V125-L315 HydrophobicContact CG2-CD2 3.88Å; V153-L315 HydrophobicContact CB-CD2 4.45Å; V153-L315 HydrophobicContact CG1-CD2 3.84Å; V155-L315 HydrophobicContact CG2-CD2 4.12Å; L220-L315 HydrophobicContact CD1-CD1 3.83Å; L220-L315 HydrophobicContact CD2-CD1 4.08Å; L220-L315 HydrophobicContact CG-CD1 3.65Å; C297-L315 CarbonylContact C-O 3.57Å; C297-L315 WeakPolarHBondContact CA-O 3.22Å; C297-L315 WeakPolarHBondContact CB-O 3.48Å; F298-L315 PolarHBondContact N-O 3.21Å; F298-L315 PolarHBondContact O-N 3.01Å; L315-L317 HydrophobicContact CD1-CD2 4.02Å; L315-L317 HydrophobicContact CG-CD2 4.36Å |
| 316 | C | 95.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 139.6 | 174.5 | -64 | 0 | 0 | 0 | 0 | 110.5 | L220 K221 I238 V295 W296 C297 | L220-C316 WeakPolarHBondContact CA-O 3.34Å; K221-C316 HydrophobicContact CB-CB 4.08Å; K221-C316 PolarHBondContact N-O 3.04Å; K221-C316 WeakPolarHBondContact O-CA 3.32Å; K221-C316 WeakPolarHBondContact O-CB 3.3Å; K221-C316 PolarHBondContact O-N 3.18Å; K221-C316 VanDerWaalsContact O-O 3.04Å; I238-C316 WeakPolarHBondContact CD1-SG 3.47Å; V295-C316 HydrophobicContact CG1-CB 4.07Å; W296-C316 CarbonylContact O-C 3.5Å; W296-C316 VanDerWaalsContact O-CA 3.23Å; W296-C316 WeakPolarHBondContact O-CA 3.43Å; C297-C316 HydrophobicContact CB-CB 3.98Å; C297-C316 WeakPolarHBondContact CB-SG 3.28Å; C297-C316 WeakPolarHBondContact SG-CB 3.36Å; C297-C316 CovalentContact SG-SG 2.03Å; C297-C316 PolarHBondContact SG-SG 3.28Å |
| 317 | L | 95.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 120.5 | 177.5 | -55.2 | 176.8 | 0 | 0 | 0 | 108.6 | V153 V155 L218 T219 L220 W296 L315 N319 I322 | V153-L317 HydrophobicContact CG1-CD1 4.28Å; V155-L317 HydrophobicContact CG2-CD1 4.07Å; V155-L317 HydrophobicContact CG2-CD2 4.01Å; L218-L317 HydrophobicContact CD1-CD2 3.93Å; L218-L317 HydrophobicContact CD2-CD1 4.36Å; L218-L317 HydrophobicContact CD2-CD2 4.08Å; T219-L317 WeakPolarHBondContact O-CA 3.01Å; L220-L317 HydrophobicContact CB-CD2 4.15Å; L220-L317 HydrophobicContact CD1-CD2 4.48Å; L220-L317 HydrophobicContact CG-CD2 4.14Å; W296-L317 HydrophobicContact CE3-CB 4.45Å; W296-L317 HydrophobicContact CE3-CD1 4.36Å; W296-L317 HydrophobicContact CE3-CG 4.47Å; W296-L317 HydrophobicContact CZ3-CD1 4.11Å; W296-L317 PolarHBondContact N-O 3.41Å; W296-L317 VanDerWaalsContact N-O 3.09Å; W296-L317 PolarHBondContact O-N 3.4Å; L315-L317 HydrophobicContact CD1-CD2 4.02Å; L315-L317 HydrophobicContact CG-CD2 4.36Å; L317-N319 PolarHBondContact O-N 3.35Å; L317-I322 HydrophobicContact CB-CD1 4.27Å; L317-I322 HydrophobicContact CD1-CD1 3.71Å |
| 318 | E | 95.2 | Very high | 94 | Very high | 61 Ų | 61 | 34 Ų | 34 | 29% | 0.285 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 93.7 | 165.9 | -49.7 | -163.3 | 155.1 | 0 | 0 | 107.8 | T219 K221 V295 | T219-E318 PolarHBondContact N-O 3.26Å; T219-E318 PolarHBondContact O-N 3.14Å; K221-E318 VanDerWaalsContact CE-CD 3.43Å; K221-E318 WeakPolarHBondContact CE-OE1 3.5Å; K221-E318 IonicContact NZ-OE1 3.26Å; V295-E318 HydrophobicContact CG1-CG 4.38Å; V295-E318 HydrophobicContact CG2-CG 3.96Å |
| 319 | N | 96 | Very high | 94.7 | Very high | 15 Ų | 15 | 31.4 Ų | 31.4 | 8% | 0.08 | 17% | 0.17 | C | C | . | . | trans | -147.7 | 128.7 | -179.9 | 177 | -80 | 0 | 0 | 0 | 108.9 | S217 L218 L317 E321 I322 Y323 | S217-N319 PolarHBondContact O-ND2 2.9Å; L218-N319 HydrophobicContact CB-CB 4.17Å; L317-N319 PolarHBondContact O-N 3.35Å; N319-E321 VanDerWaalsContact C-N 3.35Å; N319-E321 PolarHBondContact O-N 3.11Å; N319-E321 WeakPolarHBondContact OD1-CB 3.34Å; N319-E321 PolarHBondContact OD1-N 2.98Å; N319-I322 HydrophobicContact CB-CB 4.41Å; N319-I322 HydrophobicContact CB-CD1 3.94Å; N319-I322 HydrophobicContact CB-CG1 4.34Å; N319-I322 PolarHBondContact OD1-N 2.99Å; N319-Y323 WeakPolarHBondContact O-CB 3.44Å; N319-Y323 PolarHBondContact O-N 3.28Å | ||
| 320 | A | 95.7 | Very high | 95.3 | Very high | 45 Ų | 45 | 26 Ų | 26 | 37% | 0.372 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -67.4 | -34 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | K294 S324 | K294-A320 HydrophobicContact CD-CB 3.97Å; A320-S324 VanDerWaalsContact O-CB 3.25Å; A320-S324 WeakPolarHBondContact O-CB 3.48Å; A320-S324 PolarHBondContact O-N 3.35Å; A320-S324 PolarHBondContact O-OG 3.28Å |
| 321 | E | 97 | Very high | 95.6 | Very high | 77 Ų | 77 | 27 Ų | 27 | 36% | 0.36 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -70.6 | -53.5 | -178.2 | -62 | 176.8 | -118.9 | 0 | 0 | 110.1 | W34 M49 R52 N319 Y323 S324 A325 | W34-E321 HydrophobicContact CH2-CB 4.35Å; W34-E321 HydrophobicContact CZ2-CB 4.37Å; M49-E321 HydrophobicContact CE-CB 4.38Å; R52-E321 WeakPolarHBondContact CA-OE2 3.44Å; R52-E321 PolarHBondContact N-OE2 3.14Å; N319-E321 VanDerWaalsContact C-N 3.35Å; N319-E321 PolarHBondContact O-N 3.11Å; N319-E321 WeakPolarHBondContact OD1-CB 3.34Å; N319-E321 PolarHBondContact OD1-N 2.98Å; E321-Y323 VanDerWaalsContact C-N 3.34Å; E321-Y323 PolarHBondContact O-N 3.24Å; E321-S324 PolarHBondContact O-N 3.24Å; E321-A325 WeakPolarHBondContact O-CB 3.49Å; E321-A325 PolarHBondContact O-N 2.83Å |
| 322 | I | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -58 | -48.8 | 176.6 | -60 | 164.9 | 0 | 0 | 0 | 110.2 | W34 V36 M49 W296 L317 N319 S324 A325 F326 | W34-I322 HydrophobicContact CD2-CD1 3.75Å; W34-I322 HydrophobicContact CD2-CG1 4.34Å; W34-I322 HydrophobicContact CE3-CD1 3.6Å; W34-I322 HydrophobicContact CE3-CG1 3.89Å; W34-I322 HydrophobicContact CG-CD1 4.46Å; W34-I322 HydrophobicContact CH2-CD1 4.1Å; W34-I322 HydrophobicContact CH2-CG1 3.59Å; W34-I322 HydrophobicContact CZ2-CD1 4.21Å; W34-I322 HydrophobicContact CZ2-CG1 4.05Å; W34-I322 HydrophobicContact CZ3-CD1 3.78Å; W34-I322 HydrophobicContact CZ3-CG1 3.48Å; W34-I322 VanDerWaalsContact CZ3-CG1 3.48Å; V36-I322 HydrophobicContact CG2-CD1 4.42Å; V36-I322 HydrophobicContact CG2-CG1 4.48Å; M49-I322 HydrophobicContact CE-CG1 4.21Å; W296-I322 HydrophobicContact CB-CG2 3.88Å; W296-I322 HydrophobicContact CD2-CG2 3.48Å; W296-I322 VanDerWaalsContact CD2-CG2 3.48Å; W296-I322 HydrophobicContact CE3-CG2 3.56Å; W296-I322 HydrophobicContact CG-CG2 3.66Å; W296-I322 HydrophobicContact CZ3-CG2 4.18Å; L317-I322 HydrophobicContact CB-CD1 4.27Å; L317-I322 HydrophobicContact CD1-CD1 3.71Å; N319-I322 HydrophobicContact CB-CB 4.41Å; N319-I322 HydrophobicContact CB-CD1 3.94Å; N319-I322 HydrophobicContact CB-CG1 4.34Å; N319-I322 PolarHBondContact OD1-N 2.99Å; I322-S324 PolarHBondContact O-N 3.2Å; I322-A325 PolarHBondContact O-N 3.16Å; I322-F326 HydrophobicContact CG2-CD2 3.96Å; I322-F326 HydrophobicContact CG2-CE2 4.21Å; I322-F326 WeakPolarHBondContact O-CD2 3.42Å; I322-F326 PolarHBondContact O-N 2.79Å |
| 323 | Y | 97.8 | Very high | 96.3 | Very high | 22 Ų | 22 | 31.3 Ų | 31.3 | 9% | 0.086 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57.2 | -49 | 179.2 | 173.2 | -102.6 | 0 | 0 | 0 | 112.2 | V289 S290 K294 V295 N319 E321 A325 F326 K327 | V289-Y323 HydrophobicContact CB-CE2 4.23Å; S290-Y323 WeakPolarHBondContact O-CE2 3.46Å; S290-Y323 PolarHBondContact O-OH 3.05Å; K294-Y323 VanDerWaalsContact CA-CG 3.46Å; K294-Y323 HydrophobicContact CB-CD1 3.86Å; K294-Y323 HydrophobicContact CB-CE1 4.39Å; K294-Y323 HydrophobicContact CB-CG 3.93Å; K294-Y323 HydrophobicContact CG-CD1 3.83Å; K294-Y323 HydrophobicContact CG-CE1 4.07Å; K294-Y323 HydrophobicContact CG-CG 4.41Å; V295-Y323 WeakPolarHBondContact O-CD2 3.23Å; N319-Y323 WeakPolarHBondContact O-CB 3.44Å; N319-Y323 PolarHBondContact O-N 3.28Å; E321-Y323 VanDerWaalsContact C-N 3.34Å; E321-Y323 PolarHBondContact O-N 3.24Å; Y323-A325 VanDerWaalsContact C-N 3.32Å; Y323-A325 PolarHBondContact O-N 2.83Å; Y323-F326 PolarHBondContact O-N 2.66Å; Y323-K327 HydrophobicContact CE1-CB 4.41Å; Y323-K327 HydrophobicContact CE1-CD 3.8Å; Y323-K327 WeakPolarHBondContact O-CB 3.28Å; Y323-K327 PolarHBondContact O-N 2.72Å |
| 324 | S | 97.6 | Very high | 96.2 | Very high | 58 Ų | 58 | 37.5 Ų | 37.5 | 41% | 0.406 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -65.8 | -38.8 | -177.1 | -58.5 | 0 | 0 | 0 | 0 | 111.5 | A320 E321 I322 T328 | A320-S324 VanDerWaalsContact O-CB 3.25Å; A320-S324 WeakPolarHBondContact O-CB 3.48Å; A320-S324 PolarHBondContact O-N 3.35Å; A320-S324 PolarHBondContact O-OG 3.28Å; E321-S324 PolarHBondContact O-N 3.24Å; I322-S324 PolarHBondContact O-N 3.2Å; S324-T328 WeakPolarHBondContact O-CB 3.43Å; S324-T328 PolarHBondContact O-N 3.21Å; S324-T328 PolarHBondContact O-OG1 3.42Å |
| 325 | A | 98.1 | Very high | 96 | Very high | 18 Ų | 18 | 38 Ų | 38 | 15% | 0.149 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.1 | -52.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | M49 E321 I322 Y323 T328 L329 | M49-A325 HydrophobicContact CE-CB 3.69Å; M49-A325 HydrophobicContact SD-CB 3.6Å; M49-A325 VanDerWaalsContact SD-CB 3.6Å; E321-A325 WeakPolarHBondContact O-CB 3.49Å; E321-A325 PolarHBondContact O-N 2.83Å; I322-A325 PolarHBondContact O-N 3.16Å; Y323-A325 VanDerWaalsContact C-N 3.32Å; Y323-A325 PolarHBondContact O-N 2.83Å; A325-T328 WeakPolarHBondContact O-CB 3.34Å; A325-T328 PolarHBondContact O-N 2.99Å; A325-L329 PolarHBondContact O-N 3.43Å |
| 326 | F | 98.1 | Very high | 95.4 | Very high | 1 Ų | 1 | 41 Ų | 41 | 0% | 0.004 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -75.6 | -28.8 | -179.6 | -81 | -93.2 | 0 | 0 | 0 | 113.7 | V36 M49 W55 M151 W287 V289 W296 I322 Y323 T328 L329 A330 | V36-F326 HydrophobicContact CG1-CE2 4.13Å; V36-F326 HydrophobicContact CG1-CZ 4.11Å; M49-F326 HydrophobicContact SD-CE2 4.46Å; W55-F326 AromaticContact CH2-CE2 3.98Å; W55-F326 HydrophobicContact CH2-CE2 3.98Å; W55-F326 AromaticContact CH2-CZ 3.95Å; W55-F326 HydrophobicContact CH2-CZ 3.95Å; W55-F326 HydrophobicContact CZ2-CD2 4.26Å; W55-F326 AromaticContact CZ2-CE2 3.59Å; W55-F326 HydrophobicContact CZ2-CE2 3.59Å; W55-F326 AromaticContact CZ2-CZ 3.78Å; W55-F326 HydrophobicContact CZ2-CZ 3.78Å; M151-F326 HydrophobicContact SD-CE1 4.19Å; M151-F326 HydrophobicContact SD-CZ 3.73Å; W287-F326 HydrophobicContact CB-CE1 4.49Å; W287-F326 AromaticContact CD2-CD1 3.57Å; W287-F326 HydrophobicContact CD2-CD1 3.57Å; W287-F326 AromaticContact CD2-CE1 3.97Å; W287-F326 HydrophobicContact CD2-CE1 3.97Å; W287-F326 AromaticContact CE2-CD1 3.86Å; W287-F326 HydrophobicContact CE3-CB 4.38Å; W287-F326 AromaticContact CE3-CD1 3.73Å; W287-F326 HydrophobicContact CE3-CD1 3.73Å; W287-F326 HydrophobicContact CE3-CG 4.49Å; W287-F326 AromaticContact CG-CD1 3.98Å; W287-F326 HydrophobicContact CG-CD1 3.98Å; W287-F326 AromaticContact CG-CE1 3.92Å; W287-F326 HydrophobicContact CG-CE1 3.92Å; W287-F326 HydrophobicContact CH2-CD1 4.42Å; W287-F326 HydrophobicContact CZ2-CD1 4.29Å; W287-F326 HydrophobicContact CZ3-CB 4.35Å; W287-F326 HydrophobicContact CZ3-CD1 4.16Å; V289-F326 HydrophobicContact CG1-CB 3.69Å; W296-F326 VanDerWaalsContact CD1-CB 3.4Å; W296-F326 AromaticContact CD1-CD1 3.94Å; W296-F326 AromaticContact CD1-CD2 3.7Å; W296-F326 AromaticContact CD1-CG 3.41Å; W296-F326 VanDerWaalsContact CD1-CG 3.41Å; W296-F326 HydrophobicContact CD2-CD2 4.39Å; W296-F326 AromaticContact CE2-CD2 3.75Å; W296-F326 AromaticContact CE2-CE2 3.7Å; W296-F326 AromaticContact CE2-CG 3.96Å; W296-F326 AromaticContact CE2-CZ 3.86Å; W296-F326 HydrophobicContact CG-CB 4.44Å; W296-F326 HydrophobicContact CG-CD2 4.31Å; W296-F326 HydrophobicContact CG-CG 4.4Å; W296-F326 HydrophobicContact CZ2-CD2 4.22Å; W296-F326 AromaticContact CZ2-CE1 4Å; W296-F326 HydrophobicContact CZ2-CE1 4Å; W296-F326 AromaticContact CZ2-CE2 3.68Å; W296-F326 HydrophobicContact CZ2-CE2 3.68Å; W296-F326 AromaticContact CZ2-CZ 3.55Å; W296-F326 HydrophobicContact CZ2-CZ 3.55Å; W296-F326 AromaticContact NE1-CD1 3.21Å; W296-F326 AromaticContact NE1-CD2 3.31Å; W296-F326 VanDerWaalsContact NE1-CD2 3.31Å; W296-F326 AromaticContact NE1-CE1 3.56Å; W296-F326 AromaticContact NE1-CE2 3.66Å; W296-F326 AromaticContact NE1-CG 3.06Å; W296-F326 AromaticContact NE1-CZ 3.77Å; I322-F326 HydrophobicContact CG2-CD2 3.96Å; I322-F326 HydrophobicContact CG2-CE2 4.21Å; I322-F326 WeakPolarHBondContact O-CD2 3.42Å; I322-F326 PolarHBondContact O-N 2.79Å; Y323-F326 PolarHBondContact O-N 2.66Å; F326-T328 VanDerWaalsContact C-N 3.28Å; F326-T328 PolarHBondContact O-N 2.81Å; F326-L329 HydrophobicContact CD1-CD1 4.21Å; F326-L329 HydrophobicContact CE1-CD1 4.46Å; F326-L329 PolarHBondContact O-N 2.78Å; F326-A330 WeakPolarHBondContact O-CB 3.35Å; F326-A330 PolarHBondContact O-N 3.07Å |
| 327 | K | 97.6 | Very high | 94.9 | Very high | 71 Ų | 71 | 47.9 Ų | 47.9 | 31% | 0.309 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60.4 | -43 | 171.2 | -173.4 | -168.6 | 174.5 | -69.6 | 0 | 110.1 | Y323 L329 A330 D331 | Y323-K327 HydrophobicContact CE1-CB 4.41Å; Y323-K327 HydrophobicContact CE1-CD 3.8Å; Y323-K327 WeakPolarHBondContact O-CB 3.28Å; Y323-K327 PolarHBondContact O-N 2.72Å; K327-L329 VanDerWaalsContact C-N 3.3Å; K327-L329 PolarHBondContact O-N 3.04Å; K327-A330 WeakPolarHBondContact O-CB 3.35Å; K327-A330 PolarHBondContact O-N 3.46Å; K327-D331 IonicContact NZ-OD1 2.77Å; K327-D331 IonicContact NZ-OD2 3.93Å; K327-D331 PolarHBondContact NZ-OD2 3.15Å; K327-D331 PolarHBondContact O-N 3.23Å |
| 328 | T | 97.7 | Very high | 94.3 | Very high | 83 Ų | 83 | 48.2 Ų | 48.2 | 51% | 0.509 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.8 | -37.2 | 176.5 | -57.6 | 0 | 0 | 0 | 0 | 112 | S324 A325 F326 Q332 | S324-T328 WeakPolarHBondContact O-CB 3.43Å; S324-T328 PolarHBondContact O-N 3.21Å; S324-T328 PolarHBondContact O-OG1 3.42Å; A325-T328 WeakPolarHBondContact O-CB 3.34Å; A325-T328 PolarHBondContact O-N 2.99Å; F326-T328 VanDerWaalsContact C-N 3.28Å; F326-T328 PolarHBondContact O-N 2.81Å; T328-Q332 WeakPolarHBondContact O-CG 3.15Å; T328-Q332 PolarHBondContact O-NE2 2.96Å |
| 329 | L | 97.9 | Very high | 93.6 | Very high | 6 Ų | 6 | 50.3 Ų | 50.3 | 3% | 0.031 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.8 | -47.1 | 172.5 | -57.4 | -176.7 | 0 | 0 | 0 | 111.1 | F271 L273 W287 A325 F326 K327 D331 Q332 | F271-L329 HydrophobicContact CB-CB 4.36Å; F271-L329 HydrophobicContact CD2-CB 4.24Å; F271-L329 HydrophobicContact CD2-CD1 4.16Å; F271-L329 HydrophobicContact CD2-CD2 3.84Å; F271-L329 HydrophobicContact CD2-CG 4.29Å; F271-L329 HydrophobicContact CE2-CD1 3.97Å; F271-L329 HydrophobicContact CE2-CD2 4.37Å; F271-L329 HydrophobicContact CG-CB 4.19Å; F271-L329 HydrophobicContact CG-CD2 4.49Å; F271-L329 HydrophobicContact CZ-CD1 4.48Å; L273-L329 HydrophobicContact CB-CD2 4.3Å; L273-L329 HydrophobicContact CD1-CD2 4.43Å; W287-L329 HydrophobicContact CH2-CB 4.21Å; W287-L329 HydrophobicContact CZ2-CB 4.39Å; A325-L329 PolarHBondContact O-N 3.43Å; F326-L329 HydrophobicContact CD1-CD1 4.21Å; F326-L329 HydrophobicContact CE1-CD1 4.46Å; F326-L329 PolarHBondContact O-N 2.78Å; K327-L329 VanDerWaalsContact C-N 3.3Å; K327-L329 PolarHBondContact O-N 3.04Å; L329-D331 VanDerWaalsContact C-N 3.28Å; L329-D331 PolarHBondContact O-N 3.33Å; L329-Q332 WeakPolarHBondContact O-CB 3.33Å; L329-Q332 PolarHBondContact O-N 3.35Å; L329-Q332 VanDerWaalsContact O-N 3.14Å |
| 330 | A | 96 | Very high | 92.3 | Very high | 2 Ų | 2 | 62 Ų | 62 | 2% | 0.017 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.2 | -37.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113 | L267 W287 V289 F326 K327 Q332 T333 | L267-A330 HydrophobicContact CD1-CB 3.56Å; W287-A330 HydrophobicContact CH2-CB 4.03Å; W287-A330 HydrophobicContact CZ3-CB 4.05Å; V289-A330 HydrophobicContact CG2-CB 3.77Å; F326-A330 WeakPolarHBondContact O-CB 3.35Å; F326-A330 PolarHBondContact O-N 3.07Å; K327-A330 WeakPolarHBondContact O-CB 3.35Å; K327-A330 PolarHBondContact O-N 3.46Å; A330-Q332 PolarHBondContact O-N 2.99Å; A330-T333 PolarHBondContact O-N 2.95Å; A330-T333 VanDerWaalsContact O-N 3.08Å; A330-T333 PolarHBondContact O-OG1 3.27Å |
| 331 | D | 96.4 | Very high | 92.2 | Very high | 78 Ų | 78 | 62.9 Ų | 62.9 | 42% | 0.417 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -69.1 | -17.1 | -179.2 | -65.8 | -15.7 | 0 | 0 | 0 | 113.1 | R243 K327 L329 | R243-D331 IonicContact CZ-OD1 2.9Å; R243-D331 VanDerWaalsContact CZ-OD1 3.26Å; R243-D331 IonicContact NH1-OD1 2.81Å; R243-D331 PolarHBondContact NH1-OD1 2.83Å; R243-D331 IonicContact NH2-OD1 3.25Å; R243-D331 PolarHBondContact NH2-OD1 2.94Å; K327-D331 IonicContact NZ-OD1 2.77Å; K327-D331 IonicContact NZ-OD2 3.93Å; K327-D331 PolarHBondContact NZ-OD2 3.15Å; K327-D331 PolarHBondContact O-N 3.23Å; L329-D331 VanDerWaalsContact C-N 3.28Å; L329-D331 PolarHBondContact O-N 3.33Å |
| 332 | Q | 97 | Very high | 91.9 | Very high | 86 Ų | 86 | 62.2 Ų | 62.2 | 40% | 0.402 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -82 | -17.8 | 172.6 | -62.9 | 172.3 | 55.1 | 0 | 0 | 112.8 | F271 T272 T328 L329 A330 | F271-Q332 HydrophobicContact CB-CB 4.16Å; T272-Q332 PolarHBondContact O-NE2 2.71Å; T328-Q332 WeakPolarHBondContact O-CG 3.15Å; T328-Q332 PolarHBondContact O-NE2 2.96Å; L329-Q332 WeakPolarHBondContact O-CB 3.33Å; L329-Q332 PolarHBondContact O-N 3.35Å; L329-Q332 VanDerWaalsContact O-N 3.14Å; A330-Q332 PolarHBondContact O-N 2.99Å |
| 333 | T | 94.3 | Very high | 91.6 | Very high | 18 Ų | 18 | 65.6 Ų | 65.6 | 11% | 0.11 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -87.6 | 166.4 | -176.3 | 71.5 | 0 | 0 | 0 | 0 | 111.3 | W245 L267 Y268 F271 A330 | W245-T333 HydrophobicContact CE3-CG2 3.86Å; W245-T333 HydrophobicContact CH2-CG2 4.44Å; W245-T333 HydrophobicContact CZ3-CG2 3.47Å; W245-T333 VanDerWaalsContact CZ3-CG2 3.47Å; L267-T333 WeakPolarHBondContact CB-OG1 3.2Å; L267-T333 WeakPolarHBondContact CD2-OG1 3.34Å; Y268-T333 WeakPolarHBondContact O-CB 3.18Å; F271-T333 HydrophobicContact CB-CG2 4.16Å; F271-T333 HydrophobicContact CD1-CG2 4.35Å; A330-T333 PolarHBondContact O-N 2.95Å; A330-T333 VanDerWaalsContact O-N 3.08Å; A330-T333 PolarHBondContact O-OG1 3.27Å |
| 334 | K | 90.7 | Very high | 91.2 | Very high | 135 Ų | 135 | 68.2 Ų | 68.2 | 59% | 0.587 | 36% | 0.355 | S | S | * | . | B | Isolated β-bridge | trans | -96.6 | 153.9 | 173.4 | -57 | 174.9 | -178.6 | 178.3 | 0 | 109.2 | L267 Y268 | L267-K334 CarbonylContact C-O 3.53Å; L267-K334 WeakPolarHBondContact CA-O 3.18Å; Y268-K334 VanDerWaalsContact CD1-C 3.44Å; Y268-K334 HydrophobicContact CD1-CB 4.02Å; Y268-K334 WeakPolarHBondContact CD1-O 3.42Å; Y268-K334 HydrophobicContact CD2-CB 3.6Å; Y268-K334 HydrophobicContact CD2-CD 4.07Å; Y268-K334 HydrophobicContact CD2-CG 4.39Å; Y268-K334 HydrophobicContact CE1-CB 3.6Å; Y268-K334 WeakPolarHBondContact CE1-O 3.47Å; Y268-K334 HydrophobicContact CE2-CB 3.16Å; Y268-K334 HydrophobicContact CE2-CD 3.45Å; Y268-K334 VanDerWaalsContact CE2-CD 3.45Å; Y268-K334 HydrophobicContact CE2-CG 3.92Å; Y268-K334 HydrophobicContact CG-CB 4.01Å; Y268-K334 PolarHBondContact N-O 2.89Å; Y268-K334 PolarHBondContact O-N 2.83Å |
| 335 | S | 87.7 | Confident | 90.8 | Very high | 20 Ų | 20 | 68.8 Ų | 68.8 | 14% | 0.14 | 35% | 0.352 | C | S | . | . | trans | -150.7 | 131.9 | 174.3 | -170.5 | 0 | 0 | 0 | 0 | 110.1 | V266 Y268 H337 | V266-S335 WeakPolarHBondContact O-CA 3.25Å; V266-S335 WeakPolarHBondContact O-CB 3.46Å; V266-S335 PolarHBondContact O-OG 2.97Å; Y268-S335 VanDerWaalsContact CE1-N 3.25Å; S335-H337 PolarHBondContact O-N 3Å | ||
| 336 | P | 83.1 | Confident | 90.3 | Very high | 66 Ų | 66 | 72.2 Ų | 72.2 | 43% | 0.429 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 122.4 | 171.2 | 24.2 | -15.6 | 0 | 0 | 0 | 105.1 | N256 V266 Y268 | N256-P336 PolarHBondContact ND2-O 3.02Å; V266-P336 WeakPolarHBondContact O-CD 3.14Å; Y268-P336 VanDerWaalsContact CE1-CD 3.48Å; Y268-P336 HydrophobicContact CE1-CG 4.4Å |
| 337 | H | 84.6 | Confident | 89.8 | Confident | 143 Ų | 143 | 77.3 Ų | 77.3 | 66% | 0.662 | 39% | 0.391 | S | S | * | . | P | Polyproline II helix | trans | -73.1 | 140.7 | 179.8 | -68.9 | -33.2 | 0 | 0 | 0 | 110.1 | E265 S335 | E265-H337 IonicContact OE1-ND1 3.91Å; E265-H337 IonicContact OE2-ND1 3.39Å; E265-H337 PolarHBondContact OE2-ND1 3.31Å; S335-H337 PolarHBondContact O-N 3Å |
| 338 | C | 84.9 | Confident | 89.2 | Confident | 7 Ų | 7 | 77.8 Ų | 77.8 | 5% | 0.047 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -58.7 | 143.3 | 164 | -78.3 | 0 | 0 | 0 | 0 | 108.6 | C258 K263 E265 | C258-C338 VanDerWaalsContact CA-SG 3.57Å; C258-C338 HydrophobicContact CB-CB 3.7Å; C258-C338 WeakPolarHBondContact CB-SG 3.39Å; C258-C338 WeakPolarHBondContact SG-CA 3.49Å; C258-C338 WeakPolarHBondContact SG-CB 3.13Å; C258-C338 CovalentContact SG-SG 2.03Å; C258-C338 PolarHBondContact SG-SG 2.95Å; K263-C338 HydrophobicContact CB-CB 4.24Å; K263-C338 HydrophobicContact CD-CB 3.66Å; K263-C338 HydrophobicContact CG-CB 3.94Å; E265-C338 HydrophobicContact CG-CB 4.46Å; E265-C338 PolarHBondContact OE1-N 3.07Å |
| 339 | P | 79.3 | Confident | 88.4 | Confident | 105 Ų | 105 | 77.3 Ų | 77.3 | 68% | 0.682 | 39% | 0.389 | S | S | * | . | P | Polyproline II helix | trans | -49.5 | 145.4 | 171.5 | -24.9 | 33.5 | 0 | 0 | 0 | 110.4 | K263 | K263-P339 PolarHBondContact NZ-O 2.63Š|
| 340 | K | 69.7 | Low | 87.6 | Confident | 262 Ų | 262 | 83.8 Ų | 83.8 | 100% | 1.139 | 42% | 0.421 | S | S | * | . | trans | -60.4 | 0 | -177.9 | -81.1 | -171.9 | 177 | 178.8 | 0 | 110.9 | K263 | K263-K340 PolarHBondContact NZ-OXT 3.34Š|
Retrieved 340 of 340 residues in 534.8 ms
(Link to these results)