| 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 | 35.2 | Very low | 36.3 | Very low | 245 Ų | 245 | 175.7 Ų | 175.7 | 100% | 1.207 | 91% | 0.91 | S | S | * | * | 0 | 106.8 | 0 | -114 | -106 | -87.9 | 0 | 0 | 108 | |||||
| 2 | A | 34.8 | Very low | 36 | Very low | 105 Ų | 105 | 170.6 Ų | 170.6 | 87% | 0.868 | 90% | 0.899 | S | S | * | * | trans | 152.5 | 111.3 | 154 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 3 | L | 34.9 | Very low | 36.2 | Very low | 173 Ų | 173 | 176.1 Ų | 176.1 | 91% | 0.906 | 90% | 0.9 | S | S | * | * | trans | -81.1 | 149.1 | 171.7 | -77.9 | 146 | 0 | 0 | 0 | 109.9 | ||||
| 4 | L | 32.8 | Very low | 36.1 | Very low | 171 Ų | 171 | 181.7 Ų | 181.7 | 90% | 0.895 | 90% | 0.904 | S | S | * | * | trans | -130.2 | 143.8 | 157.3 | -92.6 | 166.2 | 0 | 0 | 0 | 110.4 | ||||
| 5 | F | 36.5 | Very low | 35.9 | Very low | 195 Ų | 195 | 174.3 Ų | 174.3 | 86% | 0.855 | 89% | 0.893 | S | S | * | * | trans | -68.8 | 153 | -168.5 | -82.4 | -108.1 | 0 | 0 | 0 | 115.1 | ||||
| 6 | A | 36.1 | Very low | 36.3 | Very low | 103 Ų | 103 | 170.3 Ų | 170.3 | 85% | 0.851 | 89% | 0.893 | S | S | * | * | trans | -145 | 135.3 | 143.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 7 | R | 38.9 | Very low | 36.7 | Very low | 246 Ų | 246 | 172.4 Ų | 172.4 | 93% | 0.928 | 89% | 0.894 | S | S | * | * | trans | -75.8 | 146.6 | -173.9 | -73 | 171.2 | 161.1 | -173.9 | -5.8 | 112.3 | ||||
| 8 | S | 38.3 | Very low | 37 | Very low | 117 Ų | 117 | 176.2 Ų | 176.2 | 82% | 0.818 | 89% | 0.894 | S | S | * | * | trans | -115.7 | 126.8 | 164.6 | 176.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 9 | L | 36.8 | Very low | 37.3 | Very low | 169 Ų | 169 | 176.2 Ų | 176.2 | 89% | 0.885 | 90% | 0.896 | S | S | * | * | trans | -85 | 128.5 | 174.7 | -86.4 | 151 | 0 | 0 | 0 | 109.8 | ||||
| 10 | R | 39.3 | Very low | 37.4 | Very low | 234 Ų | 234 | 170.9 Ų | 170.9 | 88% | 0.883 | 89% | 0.887 | S | S | * | * | trans | -78.4 | 125.9 | 175 | -68.1 | -175.3 | -122.7 | -112.6 | 1.5 | 110.3 | ||||
| 11 | L | 36.2 | Very low | 37.8 | Very low | 175 Ų | 175 | 169.5 Ų | 169.5 | 92% | 0.916 | 89% | 0.886 | S | S | * | * | trans | -93.9 | 112.2 | 160.1 | -93 | 133 | 0 | 0 | 0 | 108.8 | R13 | L11-R13 PolarHBondContact O-N 3.46Š| ||
| 12 | C | 32 | Very low | 38.4 | Very low | 114 Ų | 114 | 162.1 Ų | 162.1 | 77% | 0.77 | 86% | 0.863 | S | S | * | * | trans | -76.3 | 116.8 | 170.4 | -73.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 13 | R | 38.7 | Very low | 38.8 | Very low | 242 Ų | 242 | 162 Ų | 162 | 91% | 0.913 | 86% | 0.856 | S | S | * | * | trans | -70 | 125.5 | 159.9 | -82.1 | 179.2 | 165.3 | -156.3 | -3.5 | 108.6 | L11 | L11-R13 PolarHBondContact O-N 3.46Š| ||
| 14 | W | 34.4 | Very low | 39.2 | Very low | 255 Ų | 255 | 160.2 Ų | 160.2 | 97% | 0.966 | 85% | 0.853 | S | S | * | * | trans | -121.3 | 128.2 | 161.5 | -100.4 | 11.7 | 0 | 0 | 0 | 110.9 | ||||
| 15 | G | 33.9 | Very low | 39.9 | Very low | 71 Ų | 71 | 160.4 Ų | 160.4 | 73% | 0.732 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 162.4 | -169.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | K17 | G15-K17 PolarHBondContact O-N 3.47Š|
| 16 | A | 42.3 | Very low | 40.8 | Very low | 109 Ų | 109 | 154.6 Ų | 154.6 | 90% | 0.901 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 127.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 17 | K | 41.9 | Very low | 42 | Very low | 206 Ų | 206 | 156.3 Ų | 156.3 | 90% | 0.896 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 130.4 | 167.1 | -76.9 | -177.8 | 176.9 | -178.3 | 0 | 109.3 | G15 | G15-K17 PolarHBondContact O-N 3.47Š|
| 18 | R | 43 | Very low | 43.7 | Very low | 241 Ų | 241 | 155 Ų | 155 | 91% | 0.909 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 137.8 | 174.5 | -65.5 | 175.7 | -163.2 | -117.2 | -0.2 | 109.7 | G20 | R18-G20 PolarHBondContact O-N 3.23Š|
| 19 | L | 42.3 | Very low | 46 | Very low | 177 Ų | 177 | 150 Ų | 150 | 93% | 0.927 | 79% | 0.789 | S | S | * | * | trans | -62 | 113.7 | 165.7 | -76.4 | 151.2 | 0 | 0 | 0 | 108.3 | ||||
| 20 | G | 39.4 | Very low | 48.7 | Very low | 69 Ų | 69 | 142.4 Ų | 142.4 | 71% | 0.711 | 75% | 0.75 | S | S | * | * | trans | -73.8 | 133.9 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | R18 A22 | R18-G20 PolarHBondContact O-N 3.23Å; G20-A22 PolarHBondContact O-N 3.31Å | ||
| 21 | V | 45.7 | Very low | 51.5 | Low | 143 Ų | 143 | 135.1 Ų | 135.1 | 87% | 0.867 | 74% | 0.735 | S | S | * | * | trans | -64.6 | 120.1 | 166.2 | 175.8 | 0 | 0 | 0 | 0 | 106.9 | S23 | V21-S23 PolarHBondContact O-N 3.13Å; V21-S23 VanDerWaalsContact O-N 3.11Å | ||
| 22 | A | 48.7 | Very low | 54.4 | Low | 89 Ų | 89 | 127 Ų | 127 | 74% | 0.736 | 69% | 0.692 | S | S | * | * | trans | -65 | 109.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | G20 T24 | G20-A22 PolarHBondContact O-N 3.31Å; A22-T24 PolarHBondContact O-N 3.11Å; A22-T24 VanDerWaalsContact O-N 3.13Å | ||
| 23 | S | 42.4 | Very low | 57.6 | Low | 103 Ų | 103 | 126.4 Ų | 126.4 | 72% | 0.72 | 68% | 0.677 | S | S | * | * | trans | -65.2 | 107.3 | 164 | 48.8 | 0 | 0 | 0 | 0 | 107.2 | V21 E25 | V21-S23 PolarHBondContact O-N 3.13Å; V21-S23 VanDerWaalsContact O-N 3.11Å; S23-E25 PolarHBondContact O-N 3.17Å | ||
| 24 | T | 43.9 | Very low | 60.5 | Low | 136 Ų | 136 | 115 Ų | 115 | 83% | 0.834 | 63% | 0.634 | S | S | * | * | trans | -64.9 | 91.3 | 163.4 | 42.4 | 0 | 0 | 0 | 0 | 107.1 | A22 A26 | A22-T24 PolarHBondContact O-N 3.11Å; A22-T24 VanDerWaalsContact O-N 3.13Å; T24-A26 PolarHBondContact O-N 2.92Å; T24-A26 VanDerWaalsContact O-N 3.17Å | ||
| 25 | E | 47.8 | Very low | 63.5 | Low | 175 Ų | 175 | 105.6 Ų | 105.6 | 82% | 0.818 | 60% | 0.6 | S | S | * | * | trans | -57.2 | 118.4 | 160.6 | -85.6 | 179 | 150.8 | 0 | 0 | 106.5 | S23 Q27 | S23-E25 PolarHBondContact O-N 3.17Å; E25-Q27 PolarHBondContact O-N 2.84Å | ||
| 26 | A | 53.9 | Low | 66.4 | Low | 73 Ų | 73 | 107.1 Ų | 107.1 | 60% | 0.603 | 59% | 0.589 | S | S | * | * | trans | -55.7 | 110.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 106.4 | T24 R28 | T24-A26 PolarHBondContact O-N 2.92Å; T24-A26 VanDerWaalsContact O-N 3.17Å; A26-R28 VanDerWaalsContact C-N 3.35Å; A26-R28 PolarHBondContact O-N 2.94Å | ||
| 27 | Q | 62.6 | Low | 68.9 | Low | 139 Ų | 139 | 105.7 Ų | 105.7 | 65% | 0.65 | 56% | 0.562 | S | S | * | * | trans | -66.2 | 100.3 | -177.4 | -168.2 | 132.2 | 9.6 | 0 | 0 | 107.5 | E25 G29 | E25-Q27 PolarHBondContact O-N 2.84Å; Q27-G29 PolarHBondContact O-N 3.42Å | ||
| 28 | R | 73.6 | Confident | 71.6 | Confident | 218 Ų | 218 | 96.1 Ų | 96.1 | 82% | 0.823 | 52% | 0.521 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 131.7 | -174.1 | -143.8 | 174.5 | -179.9 | -139.9 | -1.3 | 108.6 | A26 | A26-R28 VanDerWaalsContact C-N 3.35Å; A26-R28 PolarHBondContact O-N 2.94Å |
| 29 | G | 86.1 | Confident | 74.1 | Confident | 11 Ų | 11 | 84.8 Ų | 84.8 | 11% | 0.113 | 48% | 0.479 | C | S | . | . | P | Polyproline II helix | trans | -57.2 | 157.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q27 S31 L201 | Q27-G29 PolarHBondContact O-N 3.42Å; G29-S31 PolarHBondContact O-N 2.84Å; G29-L201 VanDerWaalsContact CA-O 3.25Å; G29-L201 WeakPolarHBondContact CA-O 3.36Å |
| 30 | V | 94.9 | Very high | 76.7 | Confident | 10 Ų | 10 | 77.7 Ų | 77.7 | 6% | 0.061 | 44% | 0.441 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 122.8 | 174.8 | 64.7 | 0 | 0 | 0 | 0 | 108.8 | F32 T81 V83 H88 W90 S199 G200 | V30-F32 HydrophobicContact CG1-CD1 4.11Å; V30-F32 HydrophobicContact CG1-CE1 4.29Å; V30-F32 HydrophobicContact CG2-CD1 4.26Å; V30-T81 HydrophobicContact CG2-CG2 3.98Å; V30-V83 HydrophobicContact CB-CG2 4.21Å; V30-V83 HydrophobicContact CG2-CG2 3.87Å; V30-H88 HydrophobicContact CB-CB 4.14Å; V30-H88 HydrophobicContact CG1-CB 3.75Å; V30-H88 PolarHBondContact N-ND1 3.27Å; V30-W90 HydrophobicContact CG1-CE3 4.2Å; V30-S199 WeakPolarHBondContact O-CB 3.44Å; V30-G200 WeakPolarHBondContact O-CA 3.26Å; V30-G200 PolarHBondContact O-N 3.05Å |
| 31 | S | 97.1 | Very high | 79.3 | Confident | 81 Ų | 81 | 76.4 Ų | 76.4 | 57% | 0.566 | 42% | 0.421 | S | S | * | . | trans | -107.7 | 128.2 | 172.1 | -172.9 | 0 | 0 | 0 | 0 | 108 | G29 T81 | G29-S31 PolarHBondContact O-N 2.84Å; S31-T81 PolarHBondContact O-OG1 2.81Å | ||
| 32 | F | 98.4 | Very high | 81.7 | Confident | 5 Ų | 5 | 70.2 Ų | 70.2 | 2% | 0.022 | 38% | 0.384 | C | S | . | . | trans | -146.8 | 158.3 | -174.4 | 63.8 | -98.2 | 0 | 0 | 0 | 111.3 | V30 A79 D80 W90 P186 F188 T197 S199 | V30-F32 HydrophobicContact CG1-CD1 4.11Å; V30-F32 HydrophobicContact CG1-CE1 4.29Å; V30-F32 HydrophobicContact CG2-CD1 4.26Å; F32-A79 HydrophobicContact CB-CB 4.01Å; F32-A79 HydrophobicContact CD2-CB 3.47Å; F32-A79 VanDerWaalsContact CD2-CB 3.47Å; F32-A79 HydrophobicContact CE2-CB 4.1Å; F32-A79 HydrophobicContact CG-CB 3.84Å; F32-D80 WeakPolarHBondContact CA-OD1 3.23Å; F32-D80 WeakPolarHBondContact CB-OD1 3.18Å; F32-W90 HydrophobicContact CE1-CB 3.95Å; F32-W90 HydrophobicContact CE1-CD2 4.19Å; F32-W90 AromaticContact CE1-CG 3.84Å; F32-W90 HydrophobicContact CE1-CG 3.84Å; F32-W90 HydrophobicContact CZ-CB 4.25Å; F32-W90 AromaticContact CZ-CD1 3.82Å; F32-W90 HydrophobicContact CZ-CD2 4.48Å; F32-W90 AromaticContact CZ-CG 3.93Å; F32-W90 HydrophobicContact CZ-CG 3.93Å; F32-P186 HydrophobicContact CD1-CG 3.78Å; F32-P186 HydrophobicContact CD2-CG 4.49Å; F32-P186 HydrophobicContact CE1-CB 4.11Å; F32-P186 HydrophobicContact CE1-CG 3.58Å; F32-P186 HydrophobicContact CE2-CB 4.13Å; F32-P186 HydrophobicContact CE2-CG 4.34Å; F32-P186 HydrophobicContact CG-CG 4.24Å; F32-P186 HydrophobicContact CZ-CB 3.87Å; F32-P186 HydrophobicContact CZ-CG 3.89Å; F32-F188 HydrophobicContact CE2-CE2 4.11Å; F32-F188 HydrophobicContact CE2-CZ 4.09Å; F32-F188 HydrophobicContact CZ-CZ 4.13Å; F32-T197 HydrophobicContact CE2-CG2 4.1Å; F32-T197 HydrophobicContact CZ-CG2 4.47Å; F32-S199 VanDerWaalsContact CD1-CB 3.47Å; F32-S199 PolarHBondContact N-OG 3.06Å; F32-S199 VanDerWaalsContact N-OG 3.09Å; F32-S199 PolarHBondContact O-OG 2.72Å | ||
| 33 | K | 98.7 | Very high | 83.9 | Confident | 101 Ų | 101 | 66.1 Ų | 66.1 | 44% | 0.439 | 35% | 0.35 | S | S | . | . | trans | -114.2 | 166.5 | 163.7 | -65.8 | 178.9 | 175.4 | -174.9 | 0 | 110.2 | D49 A79 D80 | K33-D49 HydrophobicContact CB-CB 4.1Å; K33-D49 HydrophobicContact CD-CB 4.34Å; K33-A79 CarbonylContact O-C 3.6Å; K33-A79 WeakPolarHBondContact O-CA 3.44Å; K33-D80 WeakPolarHBondContact CB-OD2 3.5Å; K33-D80 PolarHBondContact N-OD1 3.32Å; K33-D80 PolarHBondContact O-N 2.81Å | ||
| 34 | L | 98.7 | Very high | 86.5 | Confident | 4 Ų | 4 | 63.1 Ų | 63.1 | 2% | 0.021 | 33% | 0.331 | C | S | . | . | B | Isolated β-bridge | trans | -80.3 | 131.7 | 171.5 | -58.3 | 177.1 | 0 | 0 | 0 | 109 | L45 D49 V52 V77 F188 T197 | L34-L45 HydrophobicContact CB-CD1 4.06Å; L34-L45 HydrophobicContact CB-CD2 3.8Å; L34-L45 HydrophobicContact CD1-CD2 3.95Å; L34-L45 WeakPolarHBondContact O-CD1 3.3Å; L34-D49 VanDerWaalsContact CB-O 3.3Å; L34-D49 WeakPolarHBondContact CB-O 3.35Å; L34-D49 WeakPolarHBondContact CG-O 2.9Å; L34-D49 PolarHBondContact N-O 2.83Å; L34-V52 HydrophobicContact CD1-CB 3.72Å; L34-V52 HydrophobicContact CD1-CG1 3.95Å; L34-V77 HydrophobicContact CB-CG2 4.03Å; L34-V77 HydrophobicContact CD2-CG1 4.35Å; L34-F188 HydrophobicContact CD2-CD2 3.57Å; L34-F188 HydrophobicContact CD2-CE2 3.61Å; L34-T197 HydrophobicContact CD2-CG2 4.38Å |
| 35 | E | 97.2 | Very high | 89 | Confident | 56 Ų | 56 | 58.4 Ų | 58.4 | 26% | 0.262 | 30% | 0.301 | S | S | . | . | trans | -93.3 | 107.2 | -170.7 | 177.2 | 57.3 | -95.6 | 0 | 0 | 110.4 | K37 T38 A39 L78 D80 | E35-K37 VanDerWaalsContact C-N 3.25Å; E35-K37 HydrophobicContact CG-CD 4.13Å; E35-K37 HydrophobicContact CG-CG 3.59Å; E35-K37 PolarHBondContact O-N 2.78Å; E35-K37 WeakPolarHBondContact OE1-CG 3.37Å; E35-K37 PolarHBondContact OE1-N 3.48Å; E35-K37 VanDerWaalsContact OE2-CE 3.3Å; E35-K37 WeakPolarHBondContact OE2-CE 3.25Å; E35-T38 HydrophobicContact CB-CG2 4.25Å; E35-T38 HydrophobicContact CG-CG2 3.87Å; E35-T38 PolarHBondContact O-N 2.91Å; E35-T38 PolarHBondContact O-OG1 2.98Å; E35-A39 PolarHBondContact O-N 2.74Å; E35-L78 WeakPolarHBondContact CB-O 3.48Å; E35-L78 PolarHBondContact N-O 2.89Å; E35-D80 HydrophobicContact CB-CB 4.28Å | ||
| 36 | E | 95.8 | Very high | 91.4 | Very high | 104 Ų | 104 | 52.6 Ų | 52.6 | 49% | 0.486 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -35.5 | -174.1 | -168.2 | -168.8 | 152.7 | 0 | 0 | 112.5 | T38 A39 L45 R70 | E36-T38 PolarHBondContact O-N 2.84Å; E36-A39 PolarHBondContact O-N 3.39Å; E36-L45 HydrophobicContact CB-CD1 3.86Å; E36-L45 HydrophobicContact CG-CD1 4.34Å; E36-R70 PolarHBondContact O-NH1 2.79Å |
| 37 | K | 95.6 | Very high | 93.4 | Very high | 79 Ų | 79 | 57.8 Ų | 57.8 | 34% | 0.343 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -25.4 | 179.5 | 68.8 | -169.2 | 170 | 144.4 | 0 | 112.3 | E35 N67 E69 R70 | E35-K37 VanDerWaalsContact C-N 3.25Å; E35-K37 HydrophobicContact CG-CD 4.13Å; E35-K37 HydrophobicContact CG-CG 3.59Å; E35-K37 PolarHBondContact O-N 2.78Å; E35-K37 WeakPolarHBondContact OE1-CG 3.37Å; E35-K37 PolarHBondContact OE1-N 3.48Å; E35-K37 VanDerWaalsContact OE2-CE 3.3Å; E35-K37 WeakPolarHBondContact OE2-CE 3.25Å; K37-N67 PolarHBondContact O-ND2 3.16Å; K37-N67 PolarHBondContact O-OD1 3.29Å; K37-N67 VanDerWaalsContact O-OD1 3.13Å; K37-E69 VanDerWaalsContact CD-OE2 3.29Å; K37-E69 WeakPolarHBondContact CD-OE2 3.42Å; K37-E69 WeakPolarHBondContact CE-OE2 3.36Å; K37-E69 HydrophobicContact CG-CB 4.44Å; K37-E69 VanDerWaalsContact NZ-CD 3.28Å; K37-E69 IonicContact NZ-OE1 2.94Å; K37-E69 PolarHBondContact NZ-OE1 3.34Å; K37-E69 IonicContact NZ-OE2 3.28Å; K37-E69 PolarHBondContact NZ-OE2 3.22Å; K37-R70 WeakPolarHBondContact O-CA 3.26Å; K37-R70 VanDerWaalsContact O-CB 3.25Å; K37-R70 WeakPolarHBondContact O-CB 3.32Å; K37-R70 PolarHBondContact O-N 3.37Å |
| 38 | T | 97.3 | Very high | 95.1 | Very high | 5 Ų | 5 | 53.4 Ų | 53.4 | 3% | 0.031 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -32.4 | 174.7 | 71.9 | 0 | 0 | 0 | 0 | 112.7 | E35 E36 H40 E69 R70 F71 L78 | E35-T38 HydrophobicContact CB-CG2 4.25Å; E35-T38 HydrophobicContact CG-CG2 3.87Å; E35-T38 PolarHBondContact O-N 2.91Å; E35-T38 PolarHBondContact O-OG1 2.98Å; E36-T38 PolarHBondContact O-N 2.84Å; T38-H40 PolarHBondContact O-N 3.07Å; T38-E69 WeakPolarHBondContact CA-O 3.11Å; T38-R70 WeakPolarHBondContact O-CA 3.42Å; T38-F71 VanDerWaalsContact O-CD2 3.3Å; T38-F71 WeakPolarHBondContact O-CD2 3.46Å; T38-F71 PolarHBondContact O-N 2.85Å; T38-L78 HydrophobicContact CG2-CB 4.22Å; T38-L78 PolarHBondContact OG1-N 2.87Å |
| 39 | A | 96.7 | Very high | 96.2 | Very high | 3 Ų | 3 | 45.8 Ų | 45.8 | 3% | 0.025 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -58.3 | 131.3 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | E35 E36 L43 R70 V76 V77 | E35-A39 PolarHBondContact O-N 2.74Å; E36-A39 PolarHBondContact O-N 3.39Å; A39-L43 HydrophobicContact CB-CB 4.5Å; A39-R70 WeakPolarHBondContact O-CD 3.47Å; A39-R70 WeakPolarHBondContact O-CG 3.34Å; A39-R70 PolarHBondContact O-NH1 3.27Å; A39-V76 WeakPolarHBondContact CA-O 3.07Å; A39-V77 HydrophobicContact CB-CB 4.03Å; A39-V77 HydrophobicContact CB-CG2 3.78Å |
| 40 | H | 95.9 | Very high | 96.8 | Very high | 28 Ų | 28 | 47.1 Ų | 47.1 | 13% | 0.13 | 25% | 0.25 | C | S | . | . | trans | -59.7 | 151.6 | 170.1 | -179.1 | -99.8 | 0 | 0 | 0 | 112.1 | T38 S42 L43 F71 R72 W74 V76 | T38-H40 PolarHBondContact O-N 3.07Å; H40-S42 VanDerWaalsContact ND1-CB 3.26Å; H40-S42 WeakPolarHBondContact ND1-CB 3.47Å; H40-S42 PolarHBondContact ND1-N 3.12Å; H40-S42 PolarHBondContact ND1-OG 3.04Å; H40-S42 PolarHBondContact O-N 2.91Å; H40-S42 VanDerWaalsContact O-N 3.13Å; H40-L43 HydrophobicContact CB-CG 4.42Å; H40-L43 WeakPolarHBondContact O-CB 3.31Å; H40-L43 PolarHBondContact O-N 2.73Å; H40-F71 WeakPolarHBondContact CA-O 3.24Å; H40-F71 HydrophobicContact CB-CB 4.33Å; H40-F71 PolarHBondContact CD2-O 2.61Å; H40-F71 VanDerWaalsContact CD2-O 3.23Å; H40-R72 VanDerWaalsContact CD2-C 3.45Å; H40-R72 PolarHBondContact CD2-O 3.08Å; H40-R72 VanDerWaalsContact CD2-O 3.27Å; H40-R72 PolarHBondContact NE2-O 2.7Å; H40-W74 WeakPolarHBondContact CB-O 3.48Å; H40-V76 PolarHBondContact N-O 2.99Å | ||
| 41 | S | 94.6 | Very high | 97 | Very high | 42 Ų | 42 | 46.6 Ų | 46.6 | 29% | 0.294 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -24 | -177.7 | 59.9 | 0 | 0 | 0 | 0 | 113.2 | L43 G58 L59 | S41-L43 PolarHBondContact O-N 3.39Å; S41-G58 CarbonylContact O-C 3.48Å; S41-G58 VanDerWaalsContact O-CA 3.32Å; S41-G58 WeakPolarHBondContact O-CA 3.48Å; S41-L59 WeakPolarHBondContact O-CB 3.37Å; S41-L59 WeakPolarHBondContact O-CG 3.45Å; S41-L59 PolarHBondContact O-N 3.15Å |
| 42 | S | 95.3 | Very high | 97 | Very high | 12 Ų | 12 | 42.8 Ų | 42.8 | 8% | 0.084 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -5.8 | 173.1 | 75.3 | 0 | 0 | 0 | 0 | 114.4 | H40 Y54 G55 A75 | H40-S42 VanDerWaalsContact ND1-CB 3.26Å; H40-S42 WeakPolarHBondContact ND1-CB 3.47Å; H40-S42 PolarHBondContact ND1-N 3.12Å; H40-S42 PolarHBondContact ND1-OG 3.04Å; H40-S42 PolarHBondContact O-N 2.91Å; H40-S42 VanDerWaalsContact O-N 3.13Å; S42-Y54 WeakPolarHBondContact OG-CE2 3.35Å; S42-G55 PolarHBondContact O-N 3.41Å; S42-A75 WeakPolarHBondContact OG-CB 3.44Å |
| 43 | L | 96.4 | Very high | 97 | Very high | 3 Ų | 3 | 47.2 Ų | 47.2 | 2% | 0.016 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 128.5 | -175.7 | -59.8 | -173.5 | 0 | 0 | 0 | 111.1 | A39 H40 S41 V52 K53 Y54 L59 A75 V77 L190 | A39-L43 HydrophobicContact CB-CB 4.5Å; H40-L43 HydrophobicContact CB-CG 4.42Å; H40-L43 WeakPolarHBondContact O-CB 3.31Å; H40-L43 PolarHBondContact O-N 2.73Å; S41-L43 PolarHBondContact O-N 3.39Å; L43-V52 HydrophobicContact CB-CG2 3.71Å; L43-V52 HydrophobicContact CD1-CG2 4Å; L43-V52 HydrophobicContact CD2-CG2 4.11Å; L43-V52 HydrophobicContact CG-CG2 4.16Å; L43-K53 WeakPolarHBondContact CA-O 3.41Å; L43-Y54 HydrophobicContact CD2-CD2 4.05Å; L43-L59 WeakPolarHBondContact O-CD1 3.48Å; L43-A75 HydrophobicContact CD2-CB 4.12Å; L43-A75 HydrophobicContact CG-CB 4.37Å; L43-V77 HydrophobicContact CD1-CB 4.08Å; L43-V77 HydrophobicContact CD1-CG1 4.13Å; L43-L190 HydrophobicContact CD1-CD2 3.94Å; L43-L190 HydrophobicContact CD2-CD2 3.42Å; L43-L190 VanDerWaalsContact CD2-CD2 3.42Å; L43-L190 HydrophobicContact CD2-CG 3.84Å; L43-L190 HydrophobicContact CG-CD2 4.32Å |
| 44 | A | 95.8 | Very high | 96.9 | Very high | 41 Ų | 41 | 45.2 Ų | 45.2 | 34% | 0.339 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 124.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110 | V52 K53 L59 | A44-V52 WeakPolarHBondContact O-CA 3.37Å; A44-K53 PolarHBondContact N-O 2.83Å; A44-K53 PolarHBondContact O-N 3.16Å; A44-L59 HydrophobicContact CB-CD2 4.35Å |
| 45 | L | 97.1 | Very high | 96.7 | Very high | 36 Ų | 36 | 46.3 Ų | 46.3 | 19% | 0.188 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 146.9 | 172.9 | -55.7 | -171.2 | 0 | 0 | 0 | 110.8 | L34 E36 D49 G51 V52 V77 | L34-L45 HydrophobicContact CB-CD1 4.06Å; L34-L45 HydrophobicContact CB-CD2 3.8Å; L34-L45 HydrophobicContact CD1-CD2 3.95Å; L34-L45 WeakPolarHBondContact O-CD1 3.3Å; E36-L45 HydrophobicContact CB-CD1 3.86Å; E36-L45 HydrophobicContact CG-CD1 4.34Å; L45-D49 HydrophobicContact CD1-CB 4.2Å; L45-G51 CarbonylContact C-O 3.57Å; L45-G51 VanDerWaalsContact CA-O 3.31Å; L45-G51 WeakPolarHBondContact CA-O 3.41Å; L45-V52 HydrophobicContact CD2-CB 3.95Å; L45-V52 HydrophobicContact CD2-CG2 3.95Å; L45-V77 HydrophobicContact CD2-CG2 4.31Å |
| 46 | F | 97.6 | Very high | 95.8 | Very high | 54 Ų | 54 | 51.5 Ų | 51.5 | 24% | 0.237 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 168.4 | 179.7 | 73.2 | -78.3 | 0 | 0 | 0 | 112 | G48 D49 T50 G51 V52 K53 E194 | F46-G48 PolarHBondContact O-N 2.97Å; F46-D49 PolarHBondContact O-N 2.78Å; F46-T50 PolarHBondContact O-N 3.45Å; F46-G51 WeakPolarHBondContact CD1-O 3.43Å; F46-G51 VanDerWaalsContact CE1-CA 3.48Å; F46-G51 PolarHBondContact N-O 3.09Å; F46-G51 PolarHBondContact O-N 3.22Å; F46-V52 VanDerWaalsContact CE1-N 3.26Å; F46-K53 HydrophobicContact CD1-CB 4.29Å; F46-K53 HydrophobicContact CE1-CB 4.2Å; F46-E194 HydrophobicContact CE1-CB 4.14Å; F46-E194 HydrophobicContact CZ-CB 4.26Å; F46-E194 HydrophobicContact CZ-CG 4.41Å |
| 47 | R | 97.1 | Very high | 95.1 | Very high | 182 Ų | 182 | 52.8 Ų | 52.8 | 69% | 0.687 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 50.7 | -175.5 | -70.1 | -169 | -167.7 | -77.1 | -1.5 | 113.5 | D49 T50 | R47-D49 VanDerWaalsContact C-N 3.31Å; R47-D49 PolarHBondContact O-N 3.14Å; R47-T50 PolarHBondContact O-OG1 2.74Å |
| 48 | G | 96.6 | Very high | 94.2 | Very high | 47 Ų | 47 | 50.2 Ų | 50.2 | 49% | 0.485 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | 43.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | F46 T50 | F46-G48 PolarHBondContact O-N 2.97Å; G48-T50 VanDerWaalsContact C-N 3.25Å; G48-T50 PolarHBondContact O-N 3.24Å |
| 49 | D | 97.9 | Very high | 93.2 | Very high | 58 Ų | 58 | 53 Ų | 53 | 31% | 0.31 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.1 | 26.4 | 174 | -41.6 | -39.6 | 0 | 0 | 0 | 114.5 | K33 L34 L45 F46 R47 | K33-D49 HydrophobicContact CB-CB 4.1Å; K33-D49 HydrophobicContact CD-CB 4.34Å; L34-D49 VanDerWaalsContact CB-O 3.3Å; L34-D49 WeakPolarHBondContact CB-O 3.35Å; L34-D49 WeakPolarHBondContact CG-O 2.9Å; L34-D49 PolarHBondContact N-O 2.83Å; L45-D49 HydrophobicContact CD1-CB 4.2Å; F46-D49 PolarHBondContact O-N 2.78Å; R47-D49 VanDerWaalsContact C-N 3.31Å; R47-D49 PolarHBondContact O-N 3.14Å |
| 50 | T | 98.4 | Very high | 92.3 | Very high | 38 Ų | 38 | 57.8 Ų | 57.8 | 23% | 0.233 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | -15 | 172.1 | 58 | 0 | 0 | 0 | 0 | 112.4 | F46 R47 G48 T197 | F46-T50 PolarHBondContact O-N 3.45Å; R47-T50 PolarHBondContact O-OG1 2.74Å; G48-T50 VanDerWaalsContact C-N 3.25Å; G48-T50 PolarHBondContact O-N 3.24Å; T50-T197 PolarHBondContact O-N 2.85Å; T50-T197 PolarHBondContact O-OG1 3.36Å |
| 51 | G | 98.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 150.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L45 F46 L195 | L45-G51 CarbonylContact C-O 3.57Å; L45-G51 VanDerWaalsContact CA-O 3.31Å; L45-G51 WeakPolarHBondContact CA-O 3.41Å; F46-G51 WeakPolarHBondContact CD1-O 3.43Å; F46-G51 VanDerWaalsContact CE1-CA 3.48Å; F46-G51 PolarHBondContact N-O 3.09Å; F46-G51 PolarHBondContact O-N 3.22Å; G51-L195 CarbonylContact C-O 3.47Å; G51-L195 WeakPolarHBondContact CA-O 3.33Å |
| 52 | V | 98.4 | Very high | 90.2 | Very high | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.006 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 137.6 | 171.7 | 60.6 | 0 | 0 | 0 | 0 | 111 | L34 L43 A44 L45 F46 V77 L190 E194 L195 | L34-V52 HydrophobicContact CD1-CB 3.72Å; L34-V52 HydrophobicContact CD1-CG1 3.95Å; L43-V52 HydrophobicContact CB-CG2 3.71Å; L43-V52 HydrophobicContact CD1-CG2 4Å; L43-V52 HydrophobicContact CD2-CG2 4.11Å; L43-V52 HydrophobicContact CG-CG2 4.16Å; A44-V52 WeakPolarHBondContact O-CA 3.37Å; L45-V52 HydrophobicContact CD2-CB 3.95Å; L45-V52 HydrophobicContact CD2-CG2 3.95Å; F46-V52 VanDerWaalsContact CE1-N 3.26Å; V52-V77 HydrophobicContact CB-CG1 4.34Å; V52-V77 HydrophobicContact CG1-CG1 4.17Å; V52-V77 HydrophobicContact CG2-CG1 4.17Å; V52-L190 HydrophobicContact CG1-CD1 4.28Å; V52-L190 HydrophobicContact CG1-CD2 3.82Å; V52-L190 HydrophobicContact CG2-CD2 3.97Å; V52-E194 CarbonylContact O-C 3.51Å; V52-E194 WeakPolarHBondContact O-CA 3.37Å; V52-E194 WeakPolarHBondContact O-CB 3.28Å; V52-L195 HydrophobicContact CG1-CB 4.04Å; V52-L195 PolarHBondContact N-O 2.86Å; V52-L195 PolarHBondContact O-N 3.39Å |
| 53 | K | 97.8 | Very high | 89.3 | Confident | 97 Ų | 97 | 72.8 Ų | 72.8 | 42% | 0.422 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 137.1 | 179.8 | 179.3 | 177 | 177 | -171.7 | 0 | 110.7 | L43 A44 F46 E194 | L43-K53 WeakPolarHBondContact CA-O 3.41Å; A44-K53 PolarHBondContact N-O 2.83Å; A44-K53 PolarHBondContact O-N 3.16Å; F46-K53 HydrophobicContact CD1-CB 4.29Å; F46-K53 HydrophobicContact CE1-CB 4.2Å; K53-E194 HydrophobicContact CB-CB 3.9Å; K53-E194 HydrophobicContact CG-CB 4.09Å |
| 54 | Y | 97.1 | Very high | 88.5 | Confident | 59 Ų | 59 | 73.5 Ų | 73.5 | 23% | 0.231 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 134.7 | 172.9 | -175.1 | -95.3 | 0 | 0 | 0 | 111.5 | S42 L43 L56 A75 L190 W191 G193 | S42-Y54 WeakPolarHBondContact OG-CE2 3.35Å; L43-Y54 HydrophobicContact CD2-CD2 4.05Å; Y54-L56 HydrophobicContact CE1-CD2 4.09Å; Y54-L56 HydrophobicContact CE1-CG 4.48Å; Y54-A75 HydrophobicContact CD2-CB 4.21Å; Y54-A75 HydrophobicContact CE2-CB 4.07Å; Y54-L190 VanDerWaalsContact CD2-O 3.28Å; Y54-L190 WeakPolarHBondContact CD2-O 3.36Å; Y54-W191 VanDerWaalsContact CD1-O 3.23Å; Y54-W191 WeakPolarHBondContact CD1-O 3.45Å; Y54-W191 VanDerWaalsContact CE1-O 3.23Å; Y54-W191 WeakPolarHBondContact CE1-O 3.2Å; Y54-G193 PolarHBondContact N-O 3.33Å |
| 55 | G | 93.1 | Very high | 87.7 | Confident | 28 Ų | 28 | 74.7 Ų | 74.7 | 29% | 0.289 | 41% | 0.413 | S | S | . | . | trans | -124.5 | 128 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | S42 V57 G58 | S42-G55 PolarHBondContact O-N 3.41Å; G55-V57 VanDerWaalsContact C-N 3.31Å; G55-V57 PolarHBondContact O-N 3.39Å; G55-G58 PolarHBondContact O-N 3.35Å | ||
| 56 | L | 79.5 | Confident | 86.9 | Confident | 164 Ų | 164 | 81 Ų | 81 | 86% | 0.859 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -36.5 | -177.4 | -74.8 | 167.3 | 0 | 0 | 0 | 114.1 | Y54 | Y54-L56 HydrophobicContact CE1-CD2 4.09Å; Y54-L56 HydrophobicContact CE1-CG 4.48Å |
| 57 | V | 79.9 | Confident | 86.5 | Confident | 132 Ų | 132 | 80.2 Ų | 80.2 | 80% | 0.8 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | -12 | 179.9 | -176.7 | 0 | 0 | 0 | 0 | 111.2 | G55 | G55-V57 VanDerWaalsContact C-N 3.31Å; G55-V57 PolarHBondContact O-N 3.39Å |
| 58 | G | 76.8 | Confident | 86.2 | Confident | 24 Ų | 24 | 77.4 Ų | 77.4 | 25% | 0.247 | 45% | 0.447 | C | S | . | . | trans | 58 | -173.5 | -167.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | S41 G55 | S41-G58 CarbonylContact O-C 3.48Å; S41-G58 VanDerWaalsContact O-CA 3.32Å; S41-G58 WeakPolarHBondContact O-CA 3.48Å; G55-G58 PolarHBondContact O-N 3.35Å | ||
| 59 | L | 77.2 | Confident | 86.2 | Confident | 65 Ų | 65 | 78.5 Ų | 78.5 | 34% | 0.34 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -80.7 | 141 | 174.9 | -63.1 | 177.7 | 0 | 0 | 0 | 109.3 | S41 L43 A44 V64 | S41-L59 WeakPolarHBondContact O-CB 3.37Å; S41-L59 WeakPolarHBondContact O-CG 3.45Å; S41-L59 PolarHBondContact O-N 3.15Å; L43-L59 WeakPolarHBondContact O-CD1 3.48Å; A44-L59 HydrophobicContact CB-CD2 4.35Å; L59-V64 HydrophobicContact CB-CG2 3.56Å; L59-V64 HydrophobicContact CD1-CG2 4.14Å |
| 60 | E | 77.4 | Confident | 86 | Confident | 103 Ų | 103 | 76.8 Ų | 76.8 | 48% | 0.481 | 43% | 0.429 | S | S | . | . | trans | -52.5 | 131 | 173.8 | -68.3 | -62.2 | 147.8 | 0 | 0 | 110.7 | T62 K63 | E60-T62 PolarHBondContact O-N 2.97Å; E60-K63 HydrophobicContact CB-CB 4.41Å; E60-K63 HydrophobicContact CB-CD 4.07Å; E60-K63 HydrophobicContact CB-CG 4.05Å; E60-K63 HydrophobicContact CG-CD 4.47Å; E60-K63 WeakPolarHBondContact O-CA 3.22Å; E60-K63 WeakPolarHBondContact O-CB 3.46Å; E60-K63 PolarHBondContact O-N 2.81Å | ||
| 61 | P | 72.9 | Confident | 85.9 | Confident | 108 Ų | 108 | 75 Ų | 75 | 70% | 0.701 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | -54.4 | -33 | -177.6 | -28.8 | 34.9 | 0 | 0 | 0 | 114 | K63 V64 | P61-K63 PolarHBondContact O-N 3.44Å; P61-V64 PolarHBondContact O-N 2.81Å |
| 62 | T | 72.7 | Confident | 85.6 | Confident | 134 Ų | 134 | 81.6 Ų | 81.6 | 82% | 0.822 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -68.8 | -19.6 | 177.2 | 52.8 | 0 | 0 | 0 | 0 | 113.8 | E60 | E60-T62 PolarHBondContact O-N 2.97Š|
| 63 | K | 77 | Confident | 85.3 | Confident | 154 Ų | 154 | 88.3 Ų | 88.3 | 67% | 0.67 | 47% | 0.474 | S | S | * | . | G | 310 helix | trans | -92.4 | -4.8 | 176.3 | -62.6 | -177.8 | -178.7 | 174.8 | 0 | 112.6 | E60 P61 | E60-K63 HydrophobicContact CB-CB 4.41Å; E60-K63 HydrophobicContact CB-CD 4.07Å; E60-K63 HydrophobicContact CB-CG 4.05Å; E60-K63 HydrophobicContact CG-CD 4.47Å; E60-K63 WeakPolarHBondContact O-CA 3.22Å; E60-K63 WeakPolarHBondContact O-CB 3.46Å; E60-K63 PolarHBondContact O-N 2.81Å; P61-K63 PolarHBondContact O-N 3.44Å |
| 64 | V | 78.8 | Confident | 85.2 | Confident | 19 Ų | 19 | 88.4 Ų | 88.4 | 12% | 0.115 | 47% | 0.472 | C | S | . | . | S | Bend | trans | -112.9 | 114.4 | -175.5 | -178.2 | 0 | 0 | 0 | 0 | 108.9 | L59 P61 L66 | L59-V64 HydrophobicContact CB-CG2 3.56Å; L59-V64 HydrophobicContact CD1-CG2 4.14Å; P61-V64 PolarHBondContact O-N 2.81Å; V64-L66 PolarHBondContact O-N 2.84Å |
| 65 | A | 79.3 | Confident | 85.2 | Confident | 66 Ų | 66 | 85.9 Ų | 85.9 | 55% | 0.545 | 46% | 0.463 | S | S | . | . | trans | -63.7 | 126.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | N67 R70 | A65-N67 PolarHBondContact O-N 3.4Å; A65-N67 PolarHBondContact O-ND2 2.8Å; A65-R70 PolarHBondContact O-NE 2.94Å; A65-R70 PolarHBondContact O-NH2 2.9Å | ||
| 66 | L | 80 | Confident | 85.4 | Confident | 169 Ų | 169 | 84.6 Ų | 84.6 | 89% | 0.885 | 45% | 0.449 | S | S | * | . | trans | -65 | 118.4 | 169.3 | -71.9 | 170.5 | 0 | 0 | 0 | 109 | V64 | V64-L66 PolarHBondContact O-N 2.84Š| ||
| 67 | N | 89.8 | Confident | 86.3 | Confident | 36 Ų | 36 | 76.8 Ų | 76.8 | 19% | 0.193 | 41% | 0.408 | C | S | . | . | trans | -150.5 | 165.9 | 173.3 | 75.1 | 80.1 | 0 | 0 | 0 | 110 | K37 A65 E69 R70 R72 | K37-N67 PolarHBondContact O-ND2 3.16Å; K37-N67 PolarHBondContact O-OD1 3.29Å; K37-N67 VanDerWaalsContact O-OD1 3.13Å; A65-N67 PolarHBondContact O-N 3.4Å; A65-N67 PolarHBondContact O-ND2 2.8Å; N67-E69 VanDerWaalsContact OD1-CA 3.29Å; N67-E69 WeakPolarHBondContact OD1-CA 3.48Å; N67-E69 VanDerWaalsContact OD1-CB 3.28Å; N67-E69 WeakPolarHBondContact OD1-CB 3.35Å; N67-E69 PolarHBondContact OD1-N 3.28Å; N67-R70 PolarHBondContact OD1-N 2.8Å; N67-R72 PolarHBondContact O-NH2 2.93Å | ||
| 68 | V | 92 | Very high | 87.2 | Confident | 124 Ų | 124 | 70.6 Ų | 70.6 | 75% | 0.752 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -85.3 | -14.9 | -178.4 | -64 | 0 | 0 | 0 | 0 | 113.1 | R70 | V68-R70 VanDerWaalsContact C-N 3.33Š|
| 69 | E | 94.8 | Very high | 88.3 | Confident | 70 Ų | 70 | 69.8 Ų | 69.8 | 33% | 0.327 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -82.3 | -15.9 | 179.6 | -53 | -175.5 | -142.1 | 0 | 0 | 112.5 | K37 T38 N67 R111 | K37-E69 VanDerWaalsContact CD-OE2 3.29Å; K37-E69 WeakPolarHBondContact CD-OE2 3.42Å; K37-E69 WeakPolarHBondContact CE-OE2 3.36Å; K37-E69 HydrophobicContact CG-CB 4.44Å; K37-E69 VanDerWaalsContact NZ-CD 3.28Å; K37-E69 IonicContact NZ-OE1 2.94Å; K37-E69 PolarHBondContact NZ-OE1 3.34Å; K37-E69 IonicContact NZ-OE2 3.28Å; K37-E69 PolarHBondContact NZ-OE2 3.22Å; T38-E69 WeakPolarHBondContact CA-O 3.11Å; N67-E69 VanDerWaalsContact OD1-CA 3.29Å; N67-E69 WeakPolarHBondContact OD1-CA 3.48Å; N67-E69 VanDerWaalsContact OD1-CB 3.28Å; N67-E69 WeakPolarHBondContact OD1-CB 3.35Å; N67-E69 PolarHBondContact OD1-N 3.28Å; E69-R111 WeakPolarHBondContact O-CD 3.2Å; E69-R111 PolarHBondContact O-NE 3.07Å; E69-R111 VanDerWaalsContact O-NE 3.1Å |
| 70 | R | 95.3 | Very high | 89.3 | Confident | 22 Ų | 22 | 70.2 Ų | 70.2 | 8% | 0.083 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -75.2 | 130.5 | -177 | -162.1 | 177.6 | -65.8 | -77 | -0.3 | 112.2 | E36 K37 T38 A39 A65 N67 V68 R72 | E36-R70 PolarHBondContact O-NH1 2.79Å; K37-R70 WeakPolarHBondContact O-CA 3.26Å; K37-R70 VanDerWaalsContact O-CB 3.25Å; K37-R70 WeakPolarHBondContact O-CB 3.32Å; K37-R70 PolarHBondContact O-N 3.37Å; T38-R70 WeakPolarHBondContact O-CA 3.42Å; A39-R70 WeakPolarHBondContact O-CD 3.47Å; A39-R70 WeakPolarHBondContact O-CG 3.34Å; A39-R70 PolarHBondContact O-NH1 3.27Å; A65-R70 PolarHBondContact O-NE 2.94Å; A65-R70 PolarHBondContact O-NH2 2.9Å; N67-R70 PolarHBondContact OD1-N 2.8Å; V68-R70 VanDerWaalsContact C-N 3.33Å; R70-R72 PolarHBondContact O-N 2.79Å |
| 71 | F | 95.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 36% | 0.356 | C | S | . | . | trans | -65.8 | 129.6 | 164.9 | -68.8 | -89 | 0 | 0 | 0 | 110 | T38 H40 W74 V76 L78 M109 R111 S113 | T38-F71 VanDerWaalsContact O-CD2 3.3Å; T38-F71 WeakPolarHBondContact O-CD2 3.46Å; T38-F71 PolarHBondContact O-N 2.85Å; H40-F71 WeakPolarHBondContact CA-O 3.24Å; H40-F71 HydrophobicContact CB-CB 4.33Å; H40-F71 PolarHBondContact CD2-O 2.61Å; H40-F71 VanDerWaalsContact CD2-O 3.23Å; F71-W74 WeakPolarHBondContact CB-O 3.42Å; F71-V76 HydrophobicContact CB-CB 4.23Å; F71-V76 HydrophobicContact CD1-CB 3.89Å; F71-V76 HydrophobicContact CD1-CG1 4.16Å; F71-V76 HydrophobicContact CD1-CG2 4.26Å; F71-V76 HydrophobicContact CD2-CB 3.76Å; F71-V76 HydrophobicContact CD2-CG1 3.75Å; F71-V76 HydrophobicContact CE1-CB 4.18Å; F71-V76 HydrophobicContact CE1-CG1 3.94Å; F71-V76 HydrophobicContact CE2-CB 4.1Å; F71-V76 HydrophobicContact CE2-CG1 3.56Å; F71-V76 HydrophobicContact CG-CB 3.68Å; F71-V76 HydrophobicContact CG-CG1 4.08Å; F71-V76 HydrophobicContact CG-CG2 4.47Å; F71-V76 HydrophobicContact CZ-CB 4.29Å; F71-V76 HydrophobicContact CZ-CG1 3.65Å; F71-L78 HydrophobicContact CE2-CD1 4.15Å; F71-L78 HydrophobicContact CE2-CD2 4.37Å; F71-L78 HydrophobicContact CE2-CG 3.92Å; F71-L78 HydrophobicContact CZ-CD1 4.38Å; F71-L78 HydrophobicContact CZ-CG 4.4Å; F71-M109 HydrophobicContact CE1-CE 3.77Å; F71-M109 HydrophobicContact CE1-SD 4.33Å; F71-M109 HydrophobicContact CZ-CE 3.84Å; F71-M109 HydrophobicContact CZ-CG 4.22Å; F71-M109 HydrophobicContact CZ-SD 3.77Å; F71-R111 HydrophobicContact CD1-CB 4.45Å; F71-R111 WeakPolarHBondContact CD1-O 3.34Å; F71-S113 VanDerWaalsContact CE1-O 3.31Å; F71-S113 WeakPolarHBondContact CE1-O 3.37Å | ||
| 72 | R | 91.6 | Very high | 91.5 | Very high | 138 Ų | 138 | 64.8 Ų | 64.8 | 52% | 0.521 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -108.3 | -29.4 | -175.9 | -64.9 | -177.5 | -176 | 173.2 | 2.1 | 114.3 | H40 N67 R70 | H40-R72 VanDerWaalsContact CD2-C 3.45Å; H40-R72 PolarHBondContact CD2-O 3.08Å; H40-R72 VanDerWaalsContact CD2-O 3.27Å; H40-R72 PolarHBondContact NE2-O 2.7Å; N67-R72 PolarHBondContact O-NH2 2.93Å; R70-R72 PolarHBondContact O-N 2.79Å |
| 73 | E | 91.8 | Very high | 92.7 | Very high | 143 Ų | 143 | 58.6 Ų | 58.6 | 67% | 0.668 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -103.6 | -25.4 | -176.6 | -59.9 | -55.8 | 137.2 | 0 | 0 | 112.4 | ||
| 74 | W | 96.1 | Very high | 93.6 | Very high | 99 Ų | 99 | 55.2 Ų | 55.2 | 38% | 0.375 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -122 | 132.8 | -170.2 | -58.8 | 106 | 0 | 0 | 0 | 111.1 | H40 F71 V76 D112 S113 C114 | H40-W74 WeakPolarHBondContact CB-O 3.48Å; F71-W74 WeakPolarHBondContact CB-O 3.42Å; W74-V76 HydrophobicContact CB-CG2 3.71Å; W74-V76 PolarHBondContact O-N 2.89Å; W74-D112 PolarHBondContact NE1-O 2.84Å; W74-S113 VanDerWaalsContact CD1-C 3.43Å; W74-C114 HydrophobicContact CB-CB 4.04Å; W74-C114 HydrophobicContact CD2-CB 3.53Å; W74-C114 HydrophobicContact CE3-CB 3.82Å; W74-C114 HydrophobicContact CG-CB 3.61Å; W74-C114 HydrophobicContact CZ3-CB 4.47Å |
| 75 | A | 97.1 | Very high | 94.5 | Very high | 6 Ų | 6 | 56.9 Ų | 56.9 | 5% | 0.05 | 31% | 0.308 | C | S | . | . | trans | -69 | 68.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | S42 L43 Y54 A189 L190 | S42-A75 WeakPolarHBondContact OG-CB 3.44Å; L43-A75 HydrophobicContact CD2-CB 4.12Å; L43-A75 HydrophobicContact CG-CB 4.37Å; Y54-A75 HydrophobicContact CD2-CB 4.21Å; Y54-A75 HydrophobicContact CE2-CB 4.07Å; A75-A189 WeakPolarHBondContact O-CA 3.49Å; A75-A189 WeakPolarHBondContact O-CB 3.3Å; A75-L190 VanDerWaalsContact CB-O 3.26Å; A75-L190 WeakPolarHBondContact CB-O 3.38Å; A75-L190 PolarHBondContact O-N 3.06Å | ||
| 76 | V | 98.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 147.2 | -175.3 | 179.8 | 0 | 0 | 0 | 0 | 109.8 | A39 H40 F71 W74 L78 I115 F188 A189 | A39-V76 WeakPolarHBondContact CA-O 3.07Å; H40-V76 PolarHBondContact N-O 2.99Å; F71-V76 HydrophobicContact CB-CB 4.23Å; F71-V76 HydrophobicContact CD1-CB 3.89Å; F71-V76 HydrophobicContact CD1-CG1 4.16Å; F71-V76 HydrophobicContact CD1-CG2 4.26Å; F71-V76 HydrophobicContact CD2-CB 3.76Å; F71-V76 HydrophobicContact CD2-CG1 3.75Å; F71-V76 HydrophobicContact CE1-CB 4.18Å; F71-V76 HydrophobicContact CE1-CG1 3.94Å; F71-V76 HydrophobicContact CE2-CB 4.1Å; F71-V76 HydrophobicContact CE2-CG1 3.56Å; F71-V76 HydrophobicContact CG-CB 3.68Å; F71-V76 HydrophobicContact CG-CG1 4.08Å; F71-V76 HydrophobicContact CG-CG2 4.47Å; F71-V76 HydrophobicContact CZ-CB 4.29Å; F71-V76 HydrophobicContact CZ-CG1 3.65Å; W74-V76 HydrophobicContact CB-CG2 3.71Å; W74-V76 PolarHBondContact O-N 2.89Å; V76-L78 HydrophobicContact CG1-CD2 4.4Å; V76-I115 HydrophobicContact CG1-CG2 3.9Å; V76-F188 CarbonylContact C-O 3.51Å; V76-F188 WeakPolarHBondContact CA-O 3.32Å; V76-A189 HydrophobicContact CG2-CB 3.92Å |
| 77 | V | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 142.4 | 168.1 | 60.2 | 0 | 0 | 0 | 0 | 109.7 | L34 A39 L43 L45 V52 F188 | L34-V77 HydrophobicContact CB-CG2 4.03Å; L34-V77 HydrophobicContact CD2-CG1 4.35Å; A39-V77 HydrophobicContact CB-CB 4.03Å; A39-V77 HydrophobicContact CB-CG2 3.78Å; L43-V77 HydrophobicContact CD1-CB 4.08Å; L43-V77 HydrophobicContact CD1-CG1 4.13Å; L45-V77 HydrophobicContact CD2-CG2 4.31Å; V52-V77 HydrophobicContact CB-CG1 4.34Å; V52-V77 HydrophobicContact CG1-CG1 4.17Å; V52-V77 HydrophobicContact CG2-CG1 4.17Å; V77-F188 HydrophobicContact CG1-CB 4.11Å; V77-F188 PolarHBondContact N-O 2.99Å; V77-F188 PolarHBondContact O-N 2.84Å |
| 78 | L | 98.7 | Very high | 96.6 | Very high | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.016 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 159.2 | 174.4 | -56.8 | -175.8 | 0 | 0 | 0 | 111.2 | E35 T38 F71 V76 A105 M109 V185 A187 | E35-L78 WeakPolarHBondContact CB-O 3.48Å; E35-L78 PolarHBondContact N-O 2.89Å; T38-L78 HydrophobicContact CG2-CB 4.22Å; T38-L78 PolarHBondContact OG1-N 2.87Å; F71-L78 HydrophobicContact CE2-CD1 4.15Å; F71-L78 HydrophobicContact CE2-CD2 4.37Å; F71-L78 HydrophobicContact CE2-CG 3.92Å; F71-L78 HydrophobicContact CZ-CD1 4.38Å; F71-L78 HydrophobicContact CZ-CG 4.4Å; V76-L78 HydrophobicContact CG1-CD2 4.4Å; L78-A105 HydrophobicContact CD2-CB 4.45Å; L78-M109 HydrophobicContact CD1-CG 4.48Å; L78-M109 HydrophobicContact CD1-SD 4.49Å; L78-M109 HydrophobicContact CD2-SD 4.17Å; L78-V185 HydrophobicContact CB-CG2 4.05Å; L78-V185 HydrophobicContact CD1-CG2 4.04Å; L78-V185 HydrophobicContact CD2-CG2 4.35Å; L78-V185 HydrophobicContact CG-CG2 4.37Å; L78-A187 HydrophobicContact CD2-CB 3.45Å; L78-A187 VanDerWaalsContact CD2-CB 3.45Å |
| 79 | A | 98.7 | Very high | 96.9 | Very high | 6 Ų | 6 | 44.2 Ų | 44.2 | 5% | 0.05 | 22% | 0.222 | C | C | . | . | B | Isolated β-bridge | trans | -81.2 | 158.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | F32 K33 P186 | F32-A79 HydrophobicContact CB-CB 4.01Å; F32-A79 HydrophobicContact CD2-CB 3.47Å; F32-A79 VanDerWaalsContact CD2-CB 3.47Å; F32-A79 HydrophobicContact CE2-CB 4.1Å; F32-A79 HydrophobicContact CG-CB 3.84Å; K33-A79 CarbonylContact O-C 3.6Å; K33-A79 WeakPolarHBondContact O-CA 3.44Å; A79-P186 HydrophobicContact CB-CB 3.78Å; A79-P186 HydrophobicContact CB-CG 3.97Å; A79-P186 WeakPolarHBondContact CB-O 3.17Å; A79-P186 PolarHBondContact N-O 3.2Å |
| 80 | D | 98.1 | Very high | 97.1 | Very high | 74 Ų | 74 | 40.9 Ų | 40.9 | 40% | 0.396 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -84.2 | -11 | -175.5 | 66.9 | -5.9 | 0 | 0 | 0 | 114.8 | F32 K33 E35 | F32-D80 WeakPolarHBondContact CA-OD1 3.23Å; F32-D80 WeakPolarHBondContact CB-OD1 3.18Å; K33-D80 WeakPolarHBondContact CB-OD2 3.5Å; K33-D80 PolarHBondContact N-OD1 3.32Å; K33-D80 PolarHBondContact O-N 2.81Å; E35-D80 HydrophobicContact CB-CB 4.28Å |
| 81 | T | 98.1 | Very high | 97.2 | Very high | 50 Ų | 50 | 41 Ų | 41 | 31% | 0.307 | 21% | 0.207 | S | C | . | . | trans | -119.8 | 115.6 | -171.3 | -56.4 | 0 | 0 | 0 | 0 | 110.7 | V30 S31 | V30-T81 HydrophobicContact CG2-CG2 3.98Å; S31-T81 PolarHBondContact O-OG1 2.81Å | ||
| 82 | A | 98.1 | Very high | 97.4 | Very high | 47 Ų | 47 | 41 Ų | 41 | 39% | 0.388 | 21% | 0.207 | S | C | . | . | trans | -80.9 | 143.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | V107 P183 V184 V185 | A82-V107 HydrophobicContact CB-CG1 3.98Å; A82-P183 HydrophobicContact CB-CB 3.92Å; A82-V184 CarbonylContact C-O 3.52Å; A82-V184 WeakPolarHBondContact CA-O 3.44Å; A82-V185 HydrophobicContact CB-CG1 3.99Å | ||
| 83 | V | 98.1 | Very high | 97.7 | Very high | 5 Ų | 5 | 35.5 Ų | 35.5 | 3% | 0.03 | 19% | 0.19 | C | C | . | . | B | Isolated β-bridge | trans | -104 | 131.2 | 171.9 | 176.1 | 0 | 0 | 0 | 0 | 109 | V30 H88 L155 Y157 P183 V184 | V30-V83 HydrophobicContact CB-CG2 4.21Å; V30-V83 HydrophobicContact CG2-CG2 3.87Å; V83-H88 WeakPolarHBondContact CG1-CD2 3.24Å; V83-L155 HydrophobicContact CB-CD2 3.87Å; V83-L155 HydrophobicContact CG1-CD2 3.63Å; V83-L155 HydrophobicContact CG2-CD2 4.04Å; V83-Y157 HydrophobicContact CG1-CD2 4.12Å; V83-P183 WeakPolarHBondContact O-CA 3.29Å; V83-V184 HydrophobicContact CB-CG2 4.34Å; V83-V184 PolarHBondContact N-O 3.42Å; V83-V184 PolarHBondContact O-N 2.88Å; V83-V184 VanDerWaalsContact O-N 3.07Å |
| 84 | T | 97.6 | Very high | 98 | Very high | 82 Ų | 82 | 29.3 Ų | 29.3 | 50% | 0.503 | 16% | 0.161 | S | C | . | . | trans | -128.5 | -1.8 | -179.1 | 58.1 | 0 | 0 | 0 | 0 | 113.8 | Y157 P183 | T84-Y157 VanDerWaalsContact C-CE1 3.49Å; T84-Y157 WeakPolarHBondContact O-CD1 3.47Å; T84-Y157 WeakPolarHBondContact O-CE1 3.38Å; T84-P183 HydrophobicContact CG2-CB 3.74Å; T84-P183 HydrophobicContact CG2-CG 3.84Å | ||
| 85 | S | 97.3 | Very high | 98 | Very high | 54 Ų | 54 | 29 Ų | 29 | 38% | 0.378 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -175 | 154.1 | -176.4 | 56 | 0 | 0 | 0 | 0 | 110.2 | H88 E158 | S85-H88 PolarHBondContact O-NE2 2.88Å; S85-E158 WeakPolarHBondContact CA-OE1 3.29Å; S85-E158 VanDerWaalsContact CB-OE1 3.23Å; S85-E158 WeakPolarHBondContact CB-OE1 3.3Å |
| 86 | G | 96.3 | Very high | 97.9 | Very high | 9 Ų | 9 | 37.5 Ų | 37.5 | 9% | 0.093 | 19% | 0.194 | C | C | . | . | S | Bend | trans | 92.8 | -173.1 | 167.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y157 E158 | G86-Y157 PolarHBondContact O-N 3.21Å; G86-E158 WeakPolarHBondContact CA-OE2 3.37Å; G86-E158 PolarHBondContact N-OE1 2.78Å; G86-E158 PolarHBondContact N-OE2 3.2Å |
| 87 | R | 97.5 | Very high | 97.8 | Very high | 96 Ų | 96 | 37.7 Ų | 37.7 | 36% | 0.362 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 125.8 | 177.6 | -62.2 | 177.4 | 71.5 | -128.5 | 3.9 | 109.2 | L155 E156 V203 L207 | R87-L155 CarbonylContact C-O 3.6Å; R87-L155 VanDerWaalsContact CA-O 3.3Å; R87-L155 WeakPolarHBondContact CA-O 3.49Å; R87-E156 HydrophobicContact CG-CB 4.39Å; R87-E156 HydrophobicContact CG-CG 4.15Å; R87-E156 IonicContact CZ-OE1 2.7Å; R87-E156 IonicContact NE-OE1 2.81Å; R87-E156 PolarHBondContact NE-OE1 3.06Å; R87-E156 IonicContact NH2-OE1 3.06Å; R87-V203 HydrophobicContact CB-CG2 4.21Å; R87-L207 PolarHBondContact NH2-O 2.92Å; R87-L207 PolarHBondContact NH2-OXT 2.84Å |
| 88 | H | 98.1 | Very high | 97.7 | Very high | 21 Ų | 21 | 40.8 Ų | 40.8 | 10% | 0.097 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 138.1 | -176.6 | -62.4 | -77.4 | 0 | 0 | 0 | 110.8 | V30 V83 S85 L155 | V30-H88 HydrophobicContact CB-CB 4.14Å; V30-H88 HydrophobicContact CG1-CB 3.75Å; V30-H88 PolarHBondContact N-ND1 3.27Å; V83-H88 WeakPolarHBondContact CG1-CD2 3.24Å; S85-H88 PolarHBondContact O-NE2 2.88Å; H88-L155 HydrophobicContact CB-CB 4.48Å; H88-L155 PolarHBondContact N-O 2.8Å; H88-L155 PolarHBondContact O-N 2.62Å |
| 89 | Y | 98.4 | Very high | 97.6 | Very high | 4 Ų | 4 | 45.1 Ų | 45.1 | 2% | 0.016 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 137.6 | 179.7 | -178 | -106.2 | 0 | 0 | 0 | 110.7 | E91 L153 L154 V165 L201 P204 L207 | Y89-E91 HydrophobicContact CE1-CG 3.58Å; Y89-E91 WeakPolarHBondContact OH-CG 3.43Å; Y89-E91 PolarHBondContact OH-OE1 3.09Å; Y89-L153 WeakPolarHBondContact CA-O 3.31Å; Y89-L153 WeakPolarHBondContact CD2-O 3.21Å; Y89-L154 HydrophobicContact CD2-CB 4.3Å; Y89-V165 HydrophobicContact CE2-CB 4.22Å; Y89-V165 HydrophobicContact CE2-CG1 4.25Å; Y89-V165 HydrophobicContact CE2-CG2 4.2Å; Y89-L201 HydrophobicContact CD1-CB 3.97Å; Y89-L201 HydrophobicContact CD1-CD1 4.12Å; Y89-L201 HydrophobicContact CE1-CD1 4.06Å; Y89-P204 HydrophobicContact CD1-CG 4.07Å; Y89-P204 HydrophobicContact CE1-CG 3.75Å; Y89-P204 HydrophobicContact CE2-CG 4.49Å; Y89-L207 HydrophobicContact CE2-CD1 4.27Å |
| 90 | W | 98.7 | Very high | 97.6 | 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 | -146.1 | 158.4 | 168.6 | 67.7 | 96.6 | 0 | 0 | 0 | 110 | V30 F32 V104 G152 L153 L155 L162 P186 H198 | V30-W90 HydrophobicContact CG1-CE3 4.2Å; F32-W90 HydrophobicContact CE1-CB 3.95Å; F32-W90 HydrophobicContact CE1-CD2 4.19Å; F32-W90 AromaticContact CE1-CG 3.84Å; F32-W90 HydrophobicContact CE1-CG 3.84Å; F32-W90 HydrophobicContact CZ-CB 4.25Å; F32-W90 AromaticContact CZ-CD1 3.82Å; F32-W90 HydrophobicContact CZ-CD2 4.48Å; F32-W90 AromaticContact CZ-CG 3.93Å; F32-W90 HydrophobicContact CZ-CG 3.93Å; W90-V104 HydrophobicContact CH2-CG1 3.57Å; W90-V104 HydrophobicContact CZ2-CG1 4.01Å; W90-G152 CarbonylContact O-C 3.59Å; W90-G152 WeakPolarHBondContact O-CA 3.45Å; W90-L153 HydrophobicContact CD2-CB 4.04Å; W90-L153 HydrophobicContact CE3-CB 4.43Å; W90-L153 HydrophobicContact CH2-CB 3.99Å; W90-L153 HydrophobicContact CZ2-CB 3.57Å; W90-L153 HydrophobicContact CZ2-CD1 4.34Å; W90-L153 HydrophobicContact CZ2-CD2 3.96Å; W90-L153 HydrophobicContact CZ2-CG 4.16Å; W90-L153 HydrophobicContact CZ3-CB 4.41Å; W90-L153 PolarHBondContact N-O 2.9Å; W90-L153 VanDerWaalsContact N-O 3.14Å; W90-L153 PolarHBondContact O-N 2.88Å; W90-L155 HydrophobicContact CH2-CB 4.09Å; W90-L155 HydrophobicContact CZ3-CB 3.76Å; W90-L155 HydrophobicContact CZ3-CD2 4.45Å; W90-L162 HydrophobicContact CH2-CD1 4.12Å; W90-P186 HydrophobicContact CH2-CG 4.47Å; W90-P186 HydrophobicContact CZ2-CB 4.15Å; W90-P186 HydrophobicContact CZ2-CG 4.27Å; W90-H198 WeakPolarHBondContact CA-O 3.4Å; W90-H198 WeakPolarHBondContact CB-O 3.37Å |
| 91 | E | 98.7 | Very high | 97.6 | Very high | 23 Ų | 23 | 43.1 Ų | 43.1 | 11% | 0.107 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 154.1 | 177.2 | -63 | 175.5 | -172.4 | 0 | 0 | 111 | Y89 K150 V151 V167 T197 H198 L201 | Y89-E91 HydrophobicContact CE1-CG 3.58Å; Y89-E91 WeakPolarHBondContact OH-CG 3.43Å; Y89-E91 PolarHBondContact OH-OE1 3.09Å; E91-K150 HydrophobicContact CB-CG 4.48Å; E91-K150 WeakPolarHBondContact OE2-CD 3.48Å; E91-K150 WeakPolarHBondContact OE2-CE 3.47Å; E91-K150 IonicContact OE2-NZ 3.89Å; E91-K150 PolarHBondContact OE2-NZ 3.07Å; E91-V151 CarbonylContact C-O 3.57Å; E91-V151 VanDerWaalsContact CA-O 3.29Å; E91-V151 WeakPolarHBondContact CA-O 3.22Å; E91-V167 HydrophobicContact CG-CG2 4.03Å; E91-V167 WeakPolarHBondContact OE1-CG1 3Å; E91-T197 CarbonylContact O-C 3.59Å; E91-T197 WeakPolarHBondContact O-CA 3.17Å; E91-H198 HydrophobicContact CB-CB 4.2Å; E91-H198 PolarHBondContact N-O 3.07Å; E91-H198 PolarHBondContact O-N 3.14Å; E91-L201 HydrophobicContact CB-CD1 4.32Å; E91-L201 HydrophobicContact CG-CD1 3.87Å |
| 92 | V | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 117.7 | 176.2 | -173.3 | 0 | 0 | 0 | 0 | 108.6 | I102 K150 V151 L153 F188 L195 L196 | V92-I102 HydrophobicContact CG1-CG2 4.47Å; V92-K150 WeakPolarHBondContact O-CA 3.37Å; V92-V151 HydrophobicContact CB-CG2 4.35Å; V92-V151 PolarHBondContact N-O 2.82Å; V92-V151 PolarHBondContact O-N 3.07Å; V92-L153 HydrophobicContact CG2-CD1 3.82Å; V92-F188 HydrophobicContact CG2-CE1 3.79Å; V92-L195 HydrophobicContact CG1-CB 4.1Å; V92-L195 HydrophobicContact CG1-CD1 4.48Å; V92-L195 HydrophobicContact CG1-CD2 3.98Å; V92-L195 HydrophobicContact CG1-CG 4.42Å; V92-L196 CarbonylContact C-O 3.59Å; V92-L196 WeakPolarHBondContact CA-O 3.44Å |
| 93 | T | 98.7 | Very high | 97.7 | Very high | 24 Ų | 24 | 38.5 Ų | 38.5 | 15% | 0.147 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 130 | 167.2 | -65.9 | 0 | 0 | 0 | 0 | 109.4 | K95 E149 K150 L195 L196 H198 | T93-K95 HydrophobicContact CG2-CG 4.16Å; T93-E149 WeakPolarHBondContact CA-O 3.19Å; T93-K150 WeakPolarHBondContact OG1-CE 3.27Å; T93-L195 WeakPolarHBondContact O-CA 3.4Å; T93-L196 PolarHBondContact N-O 2.83Å; T93-L196 PolarHBondContact O-N 3.49Å; T93-H198 PolarHBondContact OG1-NE2 3.33Å |
| 94 | V | 98.3 | Very high | 97.7 | Very high | 12 Ų | 12 | 38.2 Ų | 38.2 | 7% | 0.073 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 130 | -179.4 | -175.6 | 0 | 0 | 0 | 0 | 108.9 | F100 P148 E149 L195 | V94-F100 HydrophobicContact CB-CE1 4.39Å; V94-F100 HydrophobicContact CG1-CD1 4.02Å; V94-F100 HydrophobicContact CG1-CE1 3.57Å; V94-F100 HydrophobicContact CG1-CZ 4.25Å; V94-F100 HydrophobicContact CG2-CE1 3.97Å; V94-F100 HydrophobicContact CG2-CE2 4.42Å; V94-F100 HydrophobicContact CG2-CZ 3.76Å; V94-P148 HydrophobicContact CB-CB 4.23Å; V94-P148 HydrophobicContact CG2-CB 3.85Å; V94-P148 HydrophobicContact CG2-CG 4.34Å; V94-E149 PolarHBondContact N-O 3.39Å; V94-L195 HydrophobicContact CB-CD2 4.16Å; V94-L195 HydrophobicContact CG1-CD2 4.02Å; V94-L195 HydrophobicContact CG2-CD2 3.75Å |
| 95 | K | 97.1 | Very high | 97.8 | Very high | 93 Ų | 93 | 34.3 Ų | 34.3 | 40% | 0.404 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 124.4 | 178.4 | -68.9 | -179.7 | -178.7 | -177.6 | 0 | 111.3 | T93 S97 G193 E194 | T93-K95 HydrophobicContact CG2-CG 4.16Å; K95-S97 PolarHBondContact O-N 2.84Å; K95-S97 VanDerWaalsContact O-N 3.13Å; K95-G193 WeakPolarHBondContact O-CA 3.41Å; K95-E194 HydrophobicContact CB-CG 3.62Å; K95-E194 HydrophobicContact CD-CG 4.43Å; K95-E194 WeakPolarHBondContact CD-OE1 3.28Å; K95-E194 PolarHBondContact N-O 3.02Å; K95-E194 PolarHBondContact O-N 2.85Å |
| 96 | R | 94.8 | Very high | 97.8 | Very high | 185 Ų | 185 | 32 Ų | 32 | 70% | 0.698 | 14% | 0.14 | S | C | * | . | S | Bend | trans | 55.2 | 28.8 | 175 | -56.4 | 176.4 | -73.2 | -170 | -5.9 | 113.5 | G193 E194 | R96-G193 WeakPolarHBondContact O-CA 3.48Å; R96-G193 PolarHBondContact O-N 2.6Å; R96-E194 IonicContact CZ-OE2 3.91Å; R96-E194 IonicContact NH2-OE2 2.83Å; R96-E194 PolarHBondContact NH2-OE2 3.44Å |
| 97 | S | 96.3 | Very high | 97.8 | Very high | 4 Ų | 4 | 33.4 Ų | 33.4 | 3% | 0.028 | 15% | 0.147 | C | C | . | . | trans | -113.3 | 139.6 | 175.4 | 178.7 | 0 | 0 | 0 | 0 | 109.8 | K95 Q99 F100 D192 | K95-S97 PolarHBondContact O-N 2.84Å; K95-S97 VanDerWaalsContact O-N 3.13Å; S97-Q99 PolarHBondContact OG-N 2.97Å; S97-Q99 PolarHBondContact OG-O 2.91Å; S97-F100 WeakPolarHBondContact OG-CD1 3.3Å; S97-D192 WeakPolarHBondContact CA-OD1 3.39Å; S97-D192 WeakPolarHBondContact CB-O 3.16Å; S97-D192 VanDerWaalsContact CB-OD1 3.28Å; S97-D192 WeakPolarHBondContact CB-OD1 3.26Å; S97-D192 PolarHBondContact OG-O 3.23Å; S97-D192 PolarHBondContact OG-OD1 3.27Å | ||
| 98 | Q | 95.4 | Very high | 97.6 | Very high | 65 Ų | 65 | 35.3 Ų | 35.3 | 30% | 0.304 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -120.5 | -3.3 | 173.2 | -62.8 | -64.9 | -71.2 | 0 | 0 | 111.8 | D192 | Q98-D192 VanDerWaalsContact N-CG 3.31Å; Q98-D192 PolarHBondContact N-OD1 2.79Å; Q98-D192 PolarHBondContact N-OD2 3.17Å |
| 99 | Q | 96.7 | Very high | 97.5 | Very high | 93 Ų | 93 | 34.5 Ų | 34.5 | 44% | 0.435 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -145.3 | 110.7 | 179 | -170.4 | 177.3 | -27.9 | 0 | 0 | 111.6 | S97 Y126 A127 W191 D192 | S97-Q99 PolarHBondContact OG-N 2.97Å; S97-Q99 PolarHBondContact OG-O 2.91Å; Q99-Y126 VanDerWaalsContact CA-O 3.32Å; Q99-Y126 WeakPolarHBondContact CA-O 3.26Å; Q99-A127 HydrophobicContact CG-CB 4.45Å; Q99-W191 HydrophobicContact CB-CB 4.49Å; Q99-W191 HydrophobicContact CG-CB 4.46Å; Q99-W191 HydrophobicContact CG-CD2 4.31Å; Q99-W191 HydrophobicContact CG-CE3 3.77Å; Q99-W191 HydrophobicContact CG-CZ3 4.42Å; Q99-W191 PolarHBondContact O-N 3.32Å; Q99-D192 PolarHBondContact N-OD1 3.21Å; Q99-D192 VanDerWaalsContact N-OD1 3.17Å |
| 100 | F | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 168.2 | 176.8 | 64.6 | -96.9 | 0 | 0 | 0 | 112.6 | V94 S97 I102 T125 Y126 W131 P148 A189 L190 L195 | V94-F100 HydrophobicContact CB-CE1 4.39Å; V94-F100 HydrophobicContact CG1-CD1 4.02Å; V94-F100 HydrophobicContact CG1-CE1 3.57Å; V94-F100 HydrophobicContact CG1-CZ 4.25Å; V94-F100 HydrophobicContact CG2-CE1 3.97Å; V94-F100 HydrophobicContact CG2-CE2 4.42Å; V94-F100 HydrophobicContact CG2-CZ 3.76Å; S97-F100 WeakPolarHBondContact OG-CD1 3.3Å; F100-I102 HydrophobicContact CD2-CG2 3.81Å; F100-I102 HydrophobicContact CE2-CD1 3.99Å; F100-I102 HydrophobicContact CE2-CG1 4.28Å; F100-I102 HydrophobicContact CE2-CG2 4.08Å; F100-T125 WeakPolarHBondContact O-CA 3.35Å; F100-T125 PolarHBondContact O-OG1 3.04Å; F100-T125 VanDerWaalsContact O-OG1 3.07Å; F100-Y126 HydrophobicContact CD1-CD1 4.35Å; F100-Y126 AromaticContact CE1-CD1 3.75Å; F100-Y126 HydrophobicContact CE1-CD1 3.75Å; F100-Y126 AromaticContact CE1-CG 3.92Å; F100-Y126 HydrophobicContact CE1-CG 3.92Å; F100-Y126 VanDerWaalsContact CZ-CB 3.44Å; F100-Y126 HydrophobicContact CZ-CD1 4.39Å; F100-Y126 HydrophobicContact CZ-CG 4.1Å; F100-Y126 PolarHBondContact N-O 2.9Å; F100-Y126 VanDerWaalsContact N-O 3.07Å; F100-Y126 PolarHBondContact O-N 2.8Å; F100-W131 AromaticContact CE2-CH2 3.76Å; F100-W131 HydrophobicContact CE2-CH2 3.76Å; F100-W131 HydrophobicContact CE2-CZ3 4.05Å; F100-W131 AromaticContact CZ-CH2 3.74Å; F100-W131 HydrophobicContact CZ-CH2 3.74Å; F100-W131 HydrophobicContact CZ-CZ2 4.19Å; F100-W131 HydrophobicContact CZ-CZ3 4.35Å; F100-P148 HydrophobicContact CE1-CG 3.65Å; F100-P148 HydrophobicContact CZ-CB 4.11Å; F100-P148 HydrophobicContact CZ-CG 3.45Å; F100-P148 VanDerWaalsContact CZ-CG 3.45Å; F100-A189 CarbonylContact C-O 3.6Å; F100-A189 WeakPolarHBondContact CA-O 3.17Å; F100-A189 VanDerWaalsContact CB-O 3.26Å; F100-A189 WeakPolarHBondContact CB-O 3.38Å; F100-L190 HydrophobicContact CB-CB 4.27Å; F100-L195 HydrophobicContact CG-CD2 4.47Å |
| 101 | R | 98.7 | Very high | 97.3 | Very high | 38 Ų | 38 | 39 Ų | 39 | 14% | 0.143 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 137.2 | 169.5 | -59.5 | -177.3 | -175.3 | 168.3 | 1.8 | 109.3 | C114 I115 V123 F124 F188 A189 W191 | R101-C114 PolarHBondContact NH1-SG 3.29Å; R101-C114 VanDerWaalsContact NH1-SG 3.37Å; R101-I115 HydrophobicContact CB-CD1 3.83Å; R101-I115 HydrophobicContact CB-CG1 3.9Å; R101-I115 WeakPolarHBondContact CD-O 3.46Å; R101-I115 PolarHBondContact NH1-O 3Å; R101-V123 HydrophobicContact CB-CB 4.46Å; R101-V123 HydrophobicContact CB-CG2 4.23Å; R101-V123 HydrophobicContact CG-CG2 4.49Å; R101-F124 CarbonylContact C-O 3.55Å; R101-F124 WeakPolarHBondContact CA-O 3.37Å; R101-F188 WeakPolarHBondContact O-CA 3.48Å; R101-A189 HydrophobicContact CB-CB 4.14Å; R101-A189 PolarHBondContact N-O 3.39Å; R101-A189 PolarHBondContact O-N 2.98Å; R101-W191 HydrophobicContact CG-CH2 4.04Å; R101-W191 HydrophobicContact CG-CZ3 3.99Å |
| 102 | I | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 139.2 | 177 | 62.4 | -175.2 | 0 | 0 | 0 | 109.6 | V92 F100 V123 F124 W131 V151 L153 F188 L195 | V92-I102 HydrophobicContact CG1-CG2 4.47Å; F100-I102 HydrophobicContact CD2-CG2 3.81Å; F100-I102 HydrophobicContact CE2-CD1 3.99Å; F100-I102 HydrophobicContact CE2-CG1 4.28Å; F100-I102 HydrophobicContact CE2-CG2 4.08Å; I102-V123 CarbonylContact O-C 3.6Å; I102-V123 WeakPolarHBondContact O-CA 3.21Å; I102-V123 WeakPolarHBondContact O-CB 3.46Å; I102-F124 HydrophobicContact CG1-CB 4.36Å; I102-F124 PolarHBondContact N-O 2.81Å; I102-F124 PolarHBondContact O-N 3.34Å; I102-W131 HydrophobicContact CD1-CH2 4.13Å; I102-W131 HydrophobicContact CD1-CZ3 4.34Å; I102-V151 HydrophobicContact CD1-CG2 3.5Å; I102-L153 HydrophobicContact CD1-CD1 3.96Å; I102-L153 HydrophobicContact CG1-CD1 4.27Å; I102-L153 HydrophobicContact CG1-CD2 4.45Å; I102-F188 HydrophobicContact CB-CD1 4.24Å; I102-F188 HydrophobicContact CG2-CD1 3.81Å; I102-F188 HydrophobicContact CG2-CE1 4.41Å; I102-L195 HydrophobicContact CG2-CD1 4.03Å |
| 103 | G | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 170.9 | -140.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | W122 P186 A187 | G103-W122 WeakPolarHBondContact CA-O 2.97Å; G103-P186 WeakPolarHBondContact O-CA 3.35Å; G103-A187 PolarHBondContact N-O 3.23Å; G103-A187 PolarHBondContact O-N 2.91Å |
| 104 | V | 98.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 155.7 | 175.2 | -56.9 | 0 | 0 | 0 | 0 | 110.8 | W90 S121 W122 L155 L162 F180 V184 V185 | W90-V104 HydrophobicContact CH2-CG1 3.57Å; W90-V104 HydrophobicContact CZ2-CG1 4.01Å; V104-S121 WeakPolarHBondContact O-CA 3.29Å; V104-W122 HydrophobicContact CG2-CE3 4.16Å; V104-W122 PolarHBondContact N-O 3.09Å; V104-W122 PolarHBondContact O-N 3.37Å; V104-L155 HydrophobicContact CG1-CD1 4.45Å; V104-L155 HydrophobicContact CG1-CD2 4.37Å; V104-L162 HydrophobicContact CG1-CD1 4.13Å; V104-L162 HydrophobicContact CG2-CD2 4.26Å; V104-F180 HydrophobicContact CG2-CE1 3.67Å; V104-F180 HydrophobicContact CG2-CZ 3.97Å; V104-V184 HydrophobicContact CB-CB 4.26Å; V104-V184 HydrophobicContact CB-CG2 4.37Å; V104-V184 HydrophobicContact CG2-CB 4.39Å; V104-V184 HydrophobicContact CG2-CG2 4.4Å; V104-V185 CarbonylContact C-O 3.57Å; V104-V185 VanDerWaalsContact CA-O 3.24Å; V104-V185 WeakPolarHBondContact CA-O 3.39Å |
| 105 | A | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 153.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | L78 M109 I115 R120 V184 V185 A187 | L78-A105 HydrophobicContact CD2-CB 4.45Å; A105-M109 HydrophobicContact CB-CG 4.13Å; A105-M109 HydrophobicContact CB-SD 3.31Å; A105-M109 WeakPolarHBondContact CB-SD 3.42Å; A105-I115 HydrophobicContact CB-CG2 4.49Å; A105-R120 CarbonylContact C-O 3.46Å; A105-R120 WeakPolarHBondContact CA-O 3.4Å; A105-V184 CarbonylContact O-C 3.58Å; A105-V184 WeakPolarHBondContact O-CA 3.47Å; A105-V184 WeakPolarHBondContact O-CB 3.5Å; A105-V185 PolarHBondContact N-O 2.83Å; A105-V185 PolarHBondContact O-N 3.09Å; A105-A187 HydrophobicContact CB-CB 3.93Å |
| 106 | D | 98.1 | Very high | 97 | Very high | 5 Ų | 5 | 38.1 Ų | 38.1 | 3% | 0.027 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.9 | 139.8 | 165.8 | -80.2 | -5.7 | 0 | 0 | 0 | 109.5 | D108 M109 R120 | D106-D108 PolarHBondContact O-N 2.82Å; D106-D108 VanDerWaalsContact O-N 3.09Å; D106-M109 WeakPolarHBondContact O-CB 3.42Å; D106-M109 PolarHBondContact O-N 3.34Å; D106-M109 VanDerWaalsContact O-N 3.07Å; D106-R120 HydrophobicContact CB-CB 4.3Å; D106-R120 PolarHBondContact N-O 3.48Å; D106-R120 WeakPolarHBondContact OD2-CD 3.49Å; D106-R120 IonicContact OD2-CZ 3.09Å; D106-R120 IonicContact OD2-NE 3.7Å; D106-R120 IonicContact OD2-NH1 2.79Å; D106-R120 PolarHBondContact OD2-NH1 3Å |
| 107 | V | 96.8 | Very high | 97.1 | Very high | 39 Ų | 39 | 31.8 Ų | 31.8 | 24% | 0.236 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -32.8 | 178.5 | -71.4 | 0 | 0 | 0 | 0 | 112.7 | A82 R111 P183 V185 | A82-V107 HydrophobicContact CB-CG1 3.98Å; V107-R111 PolarHBondContact O-NH2 3.5Å; V107-P183 HydrophobicContact CG1-CB 4.1Å; V107-P183 HydrophobicContact CG2-CB 4.21Å; V107-P183 PolarHBondContact N-O 2.91Å; V107-P183 VanDerWaalsContact N-O 3.15Å; V107-V185 HydrophobicContact CG1-CG1 3.69Å; V107-V185 HydrophobicContact CG1-CG2 4.42Å |
| 108 | D | 93.8 | Very high | 97.1 | Very high | 136 Ų | 136 | 32.9 Ų | 32.9 | 73% | 0.727 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | 16 | -175.8 | -59.4 | -28.9 | 0 | 0 | 0 | 113.5 | D106 | D106-D108 PolarHBondContact O-N 2.82Å; D106-D108 VanDerWaalsContact O-N 3.09Å |
| 109 | M | 95.9 | Very high | 97.1 | Very high | 3 Ų | 3 | 33.6 Ų | 33.6 | 2% | 0.015 | 18% | 0.179 | C | C | . | . | trans | -54.6 | 147.4 | 175.6 | 71 | 166.7 | -66.6 | 0 | 0 | 111.5 | F71 L78 A105 D106 R111 I115 R120 | F71-M109 HydrophobicContact CE1-CE 3.77Å; F71-M109 HydrophobicContact CE1-SD 4.33Å; F71-M109 HydrophobicContact CZ-CE 3.84Å; F71-M109 HydrophobicContact CZ-CG 4.22Å; F71-M109 HydrophobicContact CZ-SD 3.77Å; L78-M109 HydrophobicContact CD1-CG 4.48Å; L78-M109 HydrophobicContact CD1-SD 4.49Å; L78-M109 HydrophobicContact CD2-SD 4.17Å; A105-M109 HydrophobicContact CB-CG 4.13Å; A105-M109 HydrophobicContact CB-SD 3.31Å; A105-M109 WeakPolarHBondContact CB-SD 3.42Å; D106-M109 WeakPolarHBondContact O-CB 3.42Å; D106-M109 PolarHBondContact O-N 3.34Å; D106-M109 VanDerWaalsContact O-N 3.07Å; M109-R111 PolarHBondContact O-N 2.99Å; M109-R111 PolarHBondContact O-NH1 3.36Å; M109-R111 VanDerWaalsContact O-NH1 3.07Å; M109-I115 HydrophobicContact CE-CG2 3.72Å; M109-I115 HydrophobicContact SD-CG2 3.74Å; M109-R120 HydrophobicContact CB-CB 3.97Å | ||
| 110 | S | 95.9 | Very high | 97.1 | Very high | 57 Ų | 57 | 33.7 Ų | 33.7 | 40% | 0.399 | 18% | 0.176 | S | C | . | . | trans | -58.6 | 134.9 | 179.2 | 178.1 | 0 | 0 | 0 | 0 | 111.4 | D112 S113 | S110-D112 PolarHBondContact O-N 2.73Å; S110-D112 PolarHBondContact OG-N 2.75Å; S110-S113 PolarHBondContact O-N 3.44Å | ||
| 111 | R | 96.1 | Very high | 97.1 | Very high | 42 Ų | 42 | 33.7 Ų | 33.7 | 16% | 0.158 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -4.9 | 175.9 | -53.2 | -50.9 | -175 | -143.9 | -1.4 | 113.5 | E69 F71 V107 M109 | E69-R111 WeakPolarHBondContact O-CD 3.2Å; E69-R111 PolarHBondContact O-NE 3.07Å; E69-R111 VanDerWaalsContact O-NE 3.1Å; F71-R111 HydrophobicContact CD1-CB 4.45Å; F71-R111 WeakPolarHBondContact CD1-O 3.34Å; V107-R111 PolarHBondContact O-NH2 3.5Å; M109-R111 PolarHBondContact O-N 2.99Å; M109-R111 PolarHBondContact O-NH1 3.36Å; M109-R111 VanDerWaalsContact O-NH1 3.07Å |
| 112 | D | 94.8 | Very high | 97.1 | Very high | 116 Ų | 116 | 32.4 Ų | 32.4 | 62% | 0.62 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | -5.1 | 174.6 | -56.6 | -37.6 | 0 | 0 | 0 | 112.3 | W74 S110 | W74-D112 PolarHBondContact NE1-O 2.84Å; S110-D112 PolarHBondContact O-N 2.73Å; S110-D112 PolarHBondContact OG-N 2.75Å |
| 113 | S | 95.9 | Very high | 97.1 | Very high | 18 Ų | 18 | 32.4 Ų | 32.4 | 13% | 0.126 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -107.6 | 150.2 | -178.8 | -177.5 | 0 | 0 | 0 | 0 | 111.2 | F71 W74 S110 D118 | F71-S113 VanDerWaalsContact CE1-O 3.31Å; F71-S113 WeakPolarHBondContact CE1-O 3.37Å; W74-S113 VanDerWaalsContact CD1-C 3.43Å; S110-S113 PolarHBondContact O-N 3.44Å; S113-D118 VanDerWaalsContact CB-OD2 3.26Å; S113-D118 WeakPolarHBondContact CB-OD2 3.35Å; S113-D118 PolarHBondContact OG-OD2 2.93Å |
| 114 | C | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | -91.4 | 145.9 | 169.8 | -167.8 | 0 | 0 | 0 | 0 | 109.8 | W74 R101 G116 V117 | W74-C114 HydrophobicContact CB-CB 4.04Å; W74-C114 HydrophobicContact CD2-CB 3.53Å; W74-C114 HydrophobicContact CE3-CB 3.82Å; W74-C114 HydrophobicContact CG-CB 3.61Å; W74-C114 HydrophobicContact CZ3-CB 4.47Å; R101-C114 PolarHBondContact NH1-SG 3.29Å; R101-C114 VanDerWaalsContact NH1-SG 3.37Å; C114-G116 PolarHBondContact O-N 2.78Å; C114-V117 HydrophobicContact CB-CG2 3.89Å; C114-V117 VanDerWaalsContact O-CB 3.25Å; C114-V117 WeakPolarHBondContact O-CB 3.28Å; C114-V117 WeakPolarHBondContact O-CG2 3.39Å; C114-V117 PolarHBondContact O-N 2.84Å | ||
| 115 | I | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 135.1 | 176.6 | 62.7 | -178.5 | 0 | 0 | 0 | 111.7 | V76 R101 A105 M109 S121 V123 A187 A189 | V76-I115 HydrophobicContact CG1-CG2 3.9Å; R101-I115 HydrophobicContact CB-CD1 3.83Å; R101-I115 HydrophobicContact CB-CG1 3.9Å; R101-I115 WeakPolarHBondContact CD-O 3.46Å; R101-I115 PolarHBondContact NH1-O 3Å; A105-I115 HydrophobicContact CB-CG2 4.49Å; M109-I115 HydrophobicContact CE-CG2 3.72Å; M109-I115 HydrophobicContact SD-CG2 3.74Å; I115-S121 WeakPolarHBondContact CA-OG 3.37Å; I115-V123 HydrophobicContact CB-CG1 3.87Å; I115-V123 HydrophobicContact CD1-CG1 3.97Å; I115-V123 HydrophobicContact CG1-CG1 3.97Å; I115-A187 HydrophobicContact CD1-CB 4.26Å; I115-A187 HydrophobicContact CG2-CB 4.03Å; I115-A189 HydrophobicContact CD1-CB 3.79Å; I115-A189 HydrophobicContact CG1-CB 3.94Å |
| 116 | G | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.8 | -8.9 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | C114 S121 M134 L135 A136 N137 | C114-G116 PolarHBondContact O-N 2.78Å; G116-S121 PolarHBondContact N-OG 3Å; G116-M134 WeakPolarHBondContact O-CG 3.47Å; G116-L135 CarbonylContact O-C 3.51Å; G116-A136 PolarHBondContact O-N 2.91Å; G116-N137 PolarHBondContact O-N 3.23Å |
| 117 | V | 97.6 | Very high | 97 | Very high | 52 Ų | 52 | 33.4 Ų | 33.4 | 32% | 0.315 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -36.4 | 179.1 | 179.6 | 0 | 0 | 0 | 0 | 111.8 | C114 M134 A136 N137 | C114-V117 HydrophobicContact CB-CG2 3.89Å; C114-V117 VanDerWaalsContact O-CB 3.25Å; C114-V117 WeakPolarHBondContact O-CB 3.28Å; C114-V117 WeakPolarHBondContact O-CG2 3.39Å; C114-V117 PolarHBondContact O-N 2.84Å; V117-M134 HydrophobicContact CG2-CE 4.2Å; V117-A136 CarbonylContact O-C 3.54Å; V117-N137 HydrophobicContact CG1-CB 4.47Å; V117-N137 PolarHBondContact O-N 2.81Å; V117-N137 VanDerWaalsContact O-N 3.1Å |
| 118 | D | 94.9 | Very high | 96.9 | Very high | 27 Ų | 27 | 39.6 Ų | 39.6 | 14% | 0.144 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -97.7 | 176.6 | 176.8 | 55.4 | 36.7 | 0 | 0 | 0 | 112.5 | S113 R120 S121 A136 | S113-D118 VanDerWaalsContact CB-OD2 3.26Å; S113-D118 WeakPolarHBondContact CB-OD2 3.35Å; S113-D118 PolarHBondContact OG-OD2 2.93Å; D118-R120 PolarHBondContact O-N 3.02Å; D118-R120 WeakPolarHBondContact OD1-CA 3.42Å; D118-R120 WeakPolarHBondContact OD1-CB 3.26Å; D118-R120 PolarHBondContact OD1-N 2.89Å; D118-S121 PolarHBondContact OD1-N 2.98Å; D118-S121 PolarHBondContact OD1-OG 3.38Å; D118-A136 WeakPolarHBondContact O-CA 3.16Å; D118-A136 PolarHBondContact O-N 3.39Å |
| 119 | D | 95.7 | Very high | 96.9 | Very high | 79 Ų | 79 | 42.3 Ų | 42.3 | 42% | 0.422 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | 10 | 174.5 | 74.6 | -34.9 | 0 | 0 | 0 | 113 | A136 R181 | D119-A136 HydrophobicContact CB-CB 4.46Å; D119-R181 IonicContact OD2-CZ 3.7Å; D119-R181 IonicContact OD2-NH1 2.61Å; D119-R181 PolarHBondContact OD2-NH1 3.19Å; D119-R181 VanDerWaalsContact OD2-NH1 3.09Å; D119-R181 IonicContact OD2-NH2 3.87Å |
| 120 | R | 97.7 | Very high | 96.9 | Very high | 96 Ų | 96 | 48.3 Ų | 48.3 | 36% | 0.362 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | 6.7 | -175.8 | -63.9 | -71.8 | -163.5 | 153 | 10.1 | 112.3 | A105 D106 M109 D118 | A105-R120 CarbonylContact C-O 3.46Å; A105-R120 WeakPolarHBondContact CA-O 3.4Å; D106-R120 HydrophobicContact CB-CB 4.3Å; D106-R120 PolarHBondContact N-O 3.48Å; D106-R120 WeakPolarHBondContact OD2-CD 3.49Å; D106-R120 IonicContact OD2-CZ 3.09Å; D106-R120 IonicContact OD2-NE 3.7Å; D106-R120 IonicContact OD2-NH1 2.79Å; D106-R120 PolarHBondContact OD2-NH1 3Å; M109-R120 HydrophobicContact CB-CB 3.97Å; D118-R120 PolarHBondContact O-N 3.02Å; D118-R120 WeakPolarHBondContact OD1-CA 3.42Å; D118-R120 WeakPolarHBondContact OD1-CB 3.26Å; D118-R120 PolarHBondContact OD1-N 2.89Å |
| 121 | S | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 139.4 | -176.6 | 52.9 | 0 | 0 | 0 | 0 | 112.2 | V104 I115 G116 D118 | V104-S121 WeakPolarHBondContact O-CA 3.29Å; I115-S121 WeakPolarHBondContact CA-OG 3.37Å; G116-S121 PolarHBondContact N-OG 3Å; D118-S121 PolarHBondContact OD1-N 2.98Å; D118-S121 PolarHBondContact OD1-OG 3.38Å |
| 122 | W | 98.6 | Very high | 97.1 | Very high | 10 Ų | 10 | 45.1 Ų | 45.1 | 4% | 0.038 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 113.8 | -176.8 | -58.9 | -93.3 | 0 | 0 | 0 | 108.5 | G103 V104 L162 L176 T178 D179 F180 V184 | G103-W122 WeakPolarHBondContact CA-O 2.97Å; V104-W122 HydrophobicContact CG2-CE3 4.16Å; V104-W122 PolarHBondContact N-O 3.09Å; V104-W122 PolarHBondContact O-N 3.37Å; W122-L162 HydrophobicContact CB-CD2 4.46Å; W122-L162 WeakPolarHBondContact O-CD2 3.26Å; W122-L176 HydrophobicContact CB-CD1 4.4Å; W122-T178 HydrophobicContact CB-CG2 3.94Å; W122-T178 HydrophobicContact CD2-CG2 4.09Å; W122-T178 HydrophobicContact CG-CG2 3.63Å; W122-D179 WeakPolarHBondContact CH2-O 3.08Å; W122-D179 HydrophobicContact CZ2-CB 4.27Å; W122-D179 WeakPolarHBondContact CZ2-O 3.13Å; W122-F180 HydrophobicContact CD2-CD1 4.38Å; W122-F180 HydrophobicContact CD2-CE1 4Å; W122-F180 AromaticContact CE3-CD1 3.83Å; W122-F180 HydrophobicContact CE3-CD1 3.83Å; W122-F180 AromaticContact CE3-CE1 3.56Å; W122-F180 HydrophobicContact CE3-CE1 3.56Å; W122-F180 AromaticContact CH2-CD1 3.78Å; W122-F180 HydrophobicContact CH2-CD1 3.78Å; W122-F180 HydrophobicContact CH2-CE1 4.35Å; W122-F180 HydrophobicContact CZ2-CD1 4.34Å; W122-F180 AromaticContact CZ3-CD1 3.5Å; W122-F180 HydrophobicContact CZ3-CD1 3.5Å; W122-F180 AromaticContact CZ3-CE1 3.76Å; W122-F180 HydrophobicContact CZ3-CE1 3.76Å; W122-V184 HydrophobicContact CZ3-CG1 4.27Å |
| 123 | V | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 153.5 | -169.1 | -55.7 | 0 | 0 | 0 | 0 | 113.2 | R101 I102 I115 M134 L176 | R101-V123 HydrophobicContact CB-CB 4.46Å; R101-V123 HydrophobicContact CB-CG2 4.23Å; R101-V123 HydrophobicContact CG-CG2 4.49Å; I102-V123 CarbonylContact O-C 3.6Å; I102-V123 WeakPolarHBondContact O-CA 3.21Å; I102-V123 WeakPolarHBondContact O-CB 3.46Å; I115-V123 HydrophobicContact CB-CG1 3.87Å; I115-V123 HydrophobicContact CD1-CG1 3.97Å; I115-V123 HydrophobicContact CG1-CG1 3.97Å; V123-M134 HydrophobicContact CG2-CB 3.88Å; V123-M134 PolarHBondContact N-O 3.4Å; V123-M134 VanDerWaalsContact N-O 3.09Å; V123-M134 PolarHBondContact O-N 3.07Å; V123-L176 WeakPolarHBondContact O-CD1 3.25Å |
| 124 | F | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 134.4 | 161.5 | -57.9 | -71.2 | 0 | 0 | 0 | 108.9 | R101 I102 W131 Y132 T133 I142 L153 L162 L164 H174 L176 | R101-F124 CarbonylContact C-O 3.55Å; R101-F124 WeakPolarHBondContact CA-O 3.37Å; I102-F124 HydrophobicContact CG1-CB 4.36Å; I102-F124 PolarHBondContact N-O 2.81Å; I102-F124 PolarHBondContact O-N 3.34Å; F124-W131 HydrophobicContact CB-CE3 4.12Å; F124-W131 HydrophobicContact CB-CZ3 3.88Å; F124-Y132 CarbonylContact C-O 3.33Å; F124-Y132 WeakPolarHBondContact CA-O 3.45Å; F124-T133 HydrophobicContact CD1-CG2 4.2Å; F124-T133 HydrophobicContact CE1-CG2 3.99Å; F124-I142 HydrophobicContact CD1-CD1 3.54Å; F124-I142 HydrophobicContact CE1-CD1 3.95Å; F124-L153 HydrophobicContact CD2-CD2 4.07Å; F124-L153 HydrophobicContact CE2-CD2 4.36Å; F124-L162 HydrophobicContact CD2-CD2 4.48Å; F124-L162 HydrophobicContact CE2-CD2 4.05Å; F124-L162 HydrophobicContact CE2-CG 3.95Å; F124-L162 WeakPolarHBondContact CZ-O 3.2Å; F124-L164 HydrophobicContact CB-CD1 4.45Å; F124-L164 HydrophobicContact CB-CD2 4.46Å; F124-L164 HydrophobicContact CD1-CB 4.01Å; F124-L164 HydrophobicContact CD1-CD2 4.17Å; F124-L164 HydrophobicContact CD2-CB 3.87Å; F124-L164 HydrophobicContact CD2-CD1 4.04Å; F124-L164 HydrophobicContact CD2-CG 4.43Å; F124-L164 HydrophobicContact CE1-CB 3.78Å; F124-L164 HydrophobicContact CE2-CB 3.63Å; F124-L164 HydrophobicContact CG-CB 4.04Å; F124-L164 HydrophobicContact CG-CD1 4.2Å; F124-L164 HydrophobicContact CG-CD2 4.2Å; F124-L164 HydrophobicContact CG-CG 4.39Å; F124-L164 HydrophobicContact CZ-CB 3.59Å; F124-L164 VanDerWaalsContact CZ-N 3.32Å; F124-H174 HydrophobicContact CE1-CB 4.29Å; F124-L176 HydrophobicContact CD1-CD1 4.26Å; F124-L176 HydrophobicContact CE1-CD1 3.91Å; F124-L176 HydrophobicContact CE1-CG 3.99Å; F124-L176 HydrophobicContact CE2-CD1 4.47Å; F124-L176 HydrophobicContact CZ-CB 4.46Å; F124-L176 HydrophobicContact CZ-CD1 4.02Å; F124-L176 HydrophobicContact CZ-CG 4.15Å |
| 125 | T | 98.2 | Very high | 97.4 | Very high | 7 Ų | 7 | 42.2 Ų | 42.2 | 4% | 0.043 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 135.7 | 177.3 | -175.1 | 0 | 0 | 0 | 0 | 110.6 | F100 W131 Y132 M134 | F100-T125 WeakPolarHBondContact O-CA 3.35Å; F100-T125 PolarHBondContact O-OG1 3.04Å; F100-T125 VanDerWaalsContact O-OG1 3.07Å; T125-W131 CarbonylContact O-C 3.55Å; T125-W131 WeakPolarHBondContact O-CA 3.43Å; T125-Y132 HydrophobicContact CG2-CD2 4.11Å; T125-Y132 HydrophobicContact CG2-CG 4.28Å; T125-Y132 PolarHBondContact N-O 2.83Å; T125-Y132 PolarHBondContact O-N 2.87Å; T125-M134 HydrophobicContact CG2-CB 4.34Å |
| 126 | Y | 98.2 | Very high | 97.3 | Very high | 4 Ų | 4 | 44.3 Ų | 44.3 | 2% | 0.016 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 121 | 168.5 | -173.8 | -103.9 | 0 | 0 | 0 | 108.5 | Q99 F100 R129 K130 W131 P148 | Q99-Y126 VanDerWaalsContact CA-O 3.32Å; Q99-Y126 WeakPolarHBondContact CA-O 3.26Å; F100-Y126 HydrophobicContact CD1-CD1 4.35Å; F100-Y126 AromaticContact CE1-CD1 3.75Å; F100-Y126 HydrophobicContact CE1-CD1 3.75Å; F100-Y126 AromaticContact CE1-CG 3.92Å; F100-Y126 HydrophobicContact CE1-CG 3.92Å; F100-Y126 VanDerWaalsContact CZ-CB 3.44Å; F100-Y126 HydrophobicContact CZ-CD1 4.39Å; F100-Y126 HydrophobicContact CZ-CG 4.1Å; F100-Y126 PolarHBondContact N-O 2.9Å; F100-Y126 VanDerWaalsContact N-O 3.07Å; F100-Y126 PolarHBondContact O-N 2.8Å; Y126-R129 WeakPolarHBondContact OH-CA 3.43Å; Y126-K130 WeakPolarHBondContact CA-O 3.34Å; Y126-W131 AromaticContact CD2-CD1 3.59Å; Y126-W131 AromaticContact CD2-CD2 3.84Å; Y126-W131 HydrophobicContact CD2-CD2 3.84Å; Y126-W131 AromaticContact CD2-CE2 3.62Å; Y126-W131 AromaticContact CD2-CG 3.89Å; Y126-W131 HydrophobicContact CD2-CG 3.89Å; Y126-W131 HydrophobicContact CD2-CZ2 4.3Å; Y126-W131 AromaticContact CD2-NE1 3.43Å; Y126-W131 AromaticContact CE2-CD1 3.88Å; Y126-W131 AromaticContact CE2-NE1 3.73Å; Y126-P148 HydrophobicContact CD1-CG 4.1Å; Y126-P148 HydrophobicContact CD2-CG 4.11Å; Y126-P148 HydrophobicContact CE1-CG 4.29Å; Y126-P148 VanDerWaalsContact CE2-CD 3.46Å; Y126-P148 HydrophobicContact CE2-CG 4.3Å; Y126-P148 HydrophobicContact CG-CG 3.98Å; Y126-P148 VanDerWaalsContact CZ-CD 3.46Å |
| 127 | A | 96.3 | Very high | 97.2 | Very high | 16 Ų | 16 | 49.6 Ų | 49.6 | 13% | 0.132 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 147.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | Q99 R129 K130 | Q99-A127 HydrophobicContact CG-CB 4.45Å; A127-R129 PolarHBondContact O-N 2.83Å; A127-R129 VanDerWaalsContact O-N 3.14Å; A127-K130 PolarHBondContact N-O 2.89Å; A127-K130 PolarHBondContact O-N 2.77Å; A127-K130 VanDerWaalsContact O-O 3.07Å |
| 128 | Q | 93.9 | Very high | 97.2 | Very high | 168 Ų | 168 | 53.9 Ų | 53.9 | 79% | 0.785 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 37.9 | 179.7 | -57.7 | 177.8 | -2.9 | 0 | 0 | 112.6 | K130 | Q128-K130 PolarHBondContact O-N 2.79Š|
| 129 | R | 94.2 | Very high | 97.2 | Very high | 194 Ų | 194 | 57.6 Ų | 57.6 | 73% | 0.732 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.6 | 21.1 | -177.7 | -53.9 | 179.6 | 177.7 | -178.1 | -0.6 | 115.4 | Y126 A127 | Y126-R129 WeakPolarHBondContact OH-CA 3.43Å; A127-R129 PolarHBondContact O-N 2.83Å; A127-R129 VanDerWaalsContact O-N 3.14Å |
| 130 | K | 96.6 | Very high | 97.3 | Very high | 128 Ų | 128 | 56 Ų | 56 | 56% | 0.557 | 27% | 0.268 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130 | 149.8 | -179.5 | -68.7 | -178.8 | 179.7 | -175 | 0 | 111 | Y126 A127 Q128 Y132 | Y126-K130 WeakPolarHBondContact CA-O 3.34Å; A127-K130 PolarHBondContact N-O 2.89Å; A127-K130 PolarHBondContact O-N 2.77Å; A127-K130 VanDerWaalsContact O-O 3.07Å; Q128-K130 PolarHBondContact O-N 2.79Å; K130-Y132 HydrophobicContact CB-CD2 4.44Å; K130-Y132 HydrophobicContact CB-CE2 3.53Å; K130-Y132 WeakPolarHBondContact CD-OH 3.45Å; K130-Y132 WeakPolarHBondContact O-CE2 3.37Å |
| 131 | W | 98.1 | Very high | 97.3 | Very high | 3 Ų | 3 | 55.7 Ų | 55.7 | 1% | 0.011 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 147.2 | 173.6 | -76.4 | 95.1 | 0 | 0 | 0 | 111.4 | F100 I102 F124 T125 Y126 I142 I145 G146 P148 V151 L164 | F100-W131 AromaticContact CE2-CH2 3.76Å; F100-W131 HydrophobicContact CE2-CH2 3.76Å; F100-W131 HydrophobicContact CE2-CZ3 4.05Å; F100-W131 AromaticContact CZ-CH2 3.74Å; F100-W131 HydrophobicContact CZ-CH2 3.74Å; F100-W131 HydrophobicContact CZ-CZ2 4.19Å; F100-W131 HydrophobicContact CZ-CZ3 4.35Å; I102-W131 HydrophobicContact CD1-CH2 4.13Å; I102-W131 HydrophobicContact CD1-CZ3 4.34Å; F124-W131 HydrophobicContact CB-CE3 4.12Å; F124-W131 HydrophobicContact CB-CZ3 3.88Å; T125-W131 CarbonylContact O-C 3.55Å; T125-W131 WeakPolarHBondContact O-CA 3.43Å; Y126-W131 AromaticContact CD2-CD1 3.59Å; Y126-W131 AromaticContact CD2-CD2 3.84Å; Y126-W131 HydrophobicContact CD2-CD2 3.84Å; Y126-W131 AromaticContact CD2-CE2 3.62Å; Y126-W131 AromaticContact CD2-CG 3.89Å; Y126-W131 HydrophobicContact CD2-CG 3.89Å; Y126-W131 HydrophobicContact CD2-CZ2 4.3Å; Y126-W131 AromaticContact CD2-NE1 3.43Å; Y126-W131 AromaticContact CE2-CD1 3.88Å; Y126-W131 AromaticContact CE2-NE1 3.73Å; W131-I142 HydrophobicContact CB-CB 3.85Å; W131-I142 HydrophobicContact CB-CD1 4.4Å; W131-I142 HydrophobicContact CB-CG2 4.44Å; W131-I142 PolarHBondContact O-N 3.06Å; W131-I145 HydrophobicContact CB-CG2 3.89Å; W131-I145 HydrophobicContact CD2-CG2 4.4Å; W131-I145 HydrophobicContact CG-CG2 3.63Å; W131-I145 HydrophobicContact CZ2-CD1 4.18Å; W131-G146 PolarHBondContact NE1-O 3.39Å; W131-P148 HydrophobicContact CH2-CB 4.36Å; W131-P148 HydrophobicContact CH2-CG 4.26Å; W131-P148 HydrophobicContact CZ2-CB 3.65Å; W131-P148 HydrophobicContact CZ2-CG 3.52Å; W131-V151 HydrophobicContact CH2-CG1 4.09Å; W131-V151 HydrophobicContact CH2-CG2 4.19Å; W131-V151 HydrophobicContact CZ2-CG1 3.83Å; W131-L164 HydrophobicContact CD2-CD2 4.2Å; W131-L164 HydrophobicContact CE3-CD2 3.92Å; W131-L164 HydrophobicContact CH2-CD1 4.28Å; W131-L164 HydrophobicContact CZ3-CD1 4.25Å; W131-L164 HydrophobicContact CZ3-CD2 4.12Å |
| 132 | Y | 98.3 | Very high | 97.3 | Very high | 30 Ų | 30 | 56.3 Ų | 56.3 | 12% | 0.118 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 153.4 | 174.5 | -49.4 | -100.6 | 0 | 0 | 0 | 110.4 | F124 T125 K130 K139 A140 P141 I142 | F124-Y132 CarbonylContact C-O 3.33Å; F124-Y132 WeakPolarHBondContact CA-O 3.45Å; T125-Y132 HydrophobicContact CG2-CD2 4.11Å; T125-Y132 HydrophobicContact CG2-CG 4.28Å; T125-Y132 PolarHBondContact N-O 2.83Å; T125-Y132 PolarHBondContact O-N 2.87Å; K130-Y132 HydrophobicContact CB-CD2 4.44Å; K130-Y132 HydrophobicContact CB-CE2 3.53Å; K130-Y132 WeakPolarHBondContact CD-OH 3.45Å; K130-Y132 WeakPolarHBondContact O-CE2 3.37Å; Y132-K139 HydrophobicContact CD1-CD 4.06Å; Y132-K139 HydrophobicContact CD1-CG 3.79Å; Y132-K139 VanDerWaalsContact CE1-CE 3.46Å; Y132-K139 VanDerWaalsContact CE2-CE 3.46Å; Y132-K139 HydrophobicContact CG-CD 4.08Å; Y132-K139 HydrophobicContact CG-CG 3.88Å; Y132-A140 CarbonylContact C-O 3.47Å; Y132-A140 WeakPolarHBondContact CA-O 3.37Å; Y132-A140 VanDerWaalsContact CB-O 3.23Å; Y132-A140 WeakPolarHBondContact CB-O 3.31Å; Y132-P141 VanDerWaalsContact CD1-CA 3.48Å; Y132-P141 HydrophobicContact CD1-CB 4.01Å; Y132-P141 HydrophobicContact CE1-CB 4.08Å; Y132-I142 VanDerWaalsContact C-CD1 3.49Å |
| 133 | T | 98.3 | Very high | 97 | Very high | 10 Ų | 10 | 64 Ų | 64 | 6% | 0.061 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 152.8 | 157 | 58.3 | 0 | 0 | 0 | 0 | 109.7 | F124 K139 A140 I142 H174 L176 | F124-T133 HydrophobicContact CD1-CG2 4.2Å; F124-T133 HydrophobicContact CE1-CG2 3.99Å; T133-K139 WeakPolarHBondContact O-CA 3.43Å; T133-A140 PolarHBondContact N-O 2.84Å; T133-A140 PolarHBondContact O-N 2.84Å; T133-A140 WeakPolarHBondContact OG1-CB 3.21Å; T133-A140 PolarHBondContact OG1-O 2.88Å; T133-I142 HydrophobicContact CG2-CD1 3.76Å; T133-I142 HydrophobicContact CG2-CG1 4.04Å; T133-H174 WeakPolarHBondContact CG2-CD2 3.38Å; T133-H174 WeakPolarHBondContact CG2-NE2 3.25Å; T133-L176 HydrophobicContact CG2-CD1 4.27Å; T133-L176 HydrophobicContact CG2-CD2 3.61Å; T133-L176 HydrophobicContact CG2-CG 3.73Å |
| 134 | M | 98.2 | Very high | 96.3 | Very high | 11 Ų | 11 | 67.6 Ų | 67.6 | 5% | 0.054 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 127.3 | 171.9 | -163.3 | 174.9 | 176.4 | 0 | 0 | 111.4 | G116 V117 V123 T125 E138 | G116-M134 WeakPolarHBondContact O-CG 3.47Å; V117-M134 HydrophobicContact CG2-CE 4.2Å; V123-M134 HydrophobicContact CG2-CB 3.88Å; V123-M134 PolarHBondContact N-O 3.4Å; V123-M134 VanDerWaalsContact N-O 3.09Å; V123-M134 PolarHBondContact O-N 3.07Å; T125-M134 HydrophobicContact CG2-CB 4.34Å; M134-E138 VanDerWaalsContact CA-O 3.26Å; M134-E138 WeakPolarHBondContact CA-O 3.44Å |
| 135 | L | 97.1 | Very high | 95.9 | Very high | 52 Ų | 52 | 69 Ų | 69 | 27% | 0.272 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 144.2 | 172.8 | 66.1 | 121.4 | 0 | 0 | 0 | 109 | G116 N137 E138 L176 | G116-L135 CarbonylContact O-C 3.51Å; L135-N137 PolarHBondContact O-N 2.89Å; L135-E138 PolarHBondContact N-O 3.01Å; L135-E138 WeakPolarHBondContact O-CB 3.44Å; L135-E138 PolarHBondContact O-N 3.42Å; L135-L176 HydrophobicContact CD2-CD2 3.5Å; L135-L176 VanDerWaalsContact CD2-CD2 3.5Å |
| 136 | A | 96.8 | Very high | 95.5 | Very high | 44 Ų | 44 | 71.2 Ų | 71.2 | 36% | 0.364 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.8 | 36.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | G116 V117 D118 D119 E138 | G116-A136 PolarHBondContact O-N 2.91Å; V117-A136 CarbonylContact O-C 3.54Å; D118-A136 WeakPolarHBondContact O-CA 3.16Å; D118-A136 PolarHBondContact O-N 3.39Å; D119-A136 HydrophobicContact CB-CB 4.46Å; A136-E138 PolarHBondContact O-N 3.2Å; A136-E138 VanDerWaalsContact O-N 3.07Å |
| 137 | N | 96.3 | Very high | 95.1 | Very high | 110 Ų | 110 | 77 Ų | 77 | 59% | 0.588 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.4 | 4.6 | -176.2 | -162.9 | 48.5 | 0 | 0 | 0 | 115.4 | G116 V117 L135 | G116-N137 PolarHBondContact O-N 3.23Å; V117-N137 HydrophobicContact CG1-CB 4.47Å; V117-N137 PolarHBondContact O-N 2.81Å; V117-N137 VanDerWaalsContact O-N 3.1Å; L135-N137 PolarHBondContact O-N 2.89Å |
| 138 | E | 97.3 | Very high | 94.7 | Very high | 143 Ų | 143 | 76.7 Ų | 76.7 | 67% | 0.668 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 141.5 | 169.4 | -60.9 | -169 | 165 | 0 | 0 | 110.1 | M134 L135 A136 | M134-E138 VanDerWaalsContact CA-O 3.26Å; M134-E138 WeakPolarHBondContact CA-O 3.44Å; L135-E138 PolarHBondContact N-O 3.01Å; L135-E138 WeakPolarHBondContact O-CB 3.44Å; L135-E138 PolarHBondContact O-N 3.42Å; A136-E138 PolarHBondContact O-N 3.2Å; A136-E138 VanDerWaalsContact O-N 3.07Å |
| 139 | K | 96.5 | Very high | 94.7 | Very high | 104 Ų | 104 | 76.3 Ų | 76.3 | 45% | 0.452 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 124.8 | -174.6 | -177.2 | 178.5 | 175.7 | 179.3 | 0 | 110.2 | Y132 T133 | Y132-K139 HydrophobicContact CD1-CD 4.06Å; Y132-K139 HydrophobicContact CD1-CG 3.79Å; Y132-K139 VanDerWaalsContact CE1-CE 3.46Å; Y132-K139 VanDerWaalsContact CE2-CE 3.46Å; Y132-K139 HydrophobicContact CG-CD 4.08Å; Y132-K139 HydrophobicContact CG-CG 3.88Å; T133-K139 WeakPolarHBondContact O-CA 3.43Å |
| 140 | A | 97.4 | Very high | 94.9 | Very high | 46 Ų | 46 | 71 Ų | 71 | 38% | 0.38 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 137.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y132 T133 | Y132-A140 CarbonylContact C-O 3.47Å; Y132-A140 WeakPolarHBondContact CA-O 3.37Å; Y132-A140 VanDerWaalsContact CB-O 3.23Å; Y132-A140 WeakPolarHBondContact CB-O 3.31Å; T133-A140 PolarHBondContact N-O 2.84Å; T133-A140 PolarHBondContact O-N 2.84Å; T133-A140 WeakPolarHBondContact OG1-CB 3.21Å; T133-A140 PolarHBondContact OG1-O 2.88Å |
| 141 | P | 97.5 | Very high | 94.9 | Very high | 90 Ų | 90 | 65.1 Ų | 65.1 | 58% | 0.584 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 146 | -177.9 | 29.2 | -34.7 | 0 | 0 | 0 | 112.1 | Y132 | Y132-P141 VanDerWaalsContact CD1-CA 3.48Å; Y132-P141 HydrophobicContact CD1-CB 4.01Å; Y132-P141 HydrophobicContact CE1-CB 4.08Å |
| 142 | I | 97.4 | Very high | 94.9 | Very high | 13 Ų | 13 | 65 Ų | 65 | 7% | 0.067 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 129.9 | 171.3 | -57.9 | 170 | 0 | 0 | 0 | 107.9 | F124 W131 Y132 T133 I145 L164 V173 H174 | F124-I142 HydrophobicContact CD1-CD1 3.54Å; F124-I142 HydrophobicContact CE1-CD1 3.95Å; W131-I142 HydrophobicContact CB-CB 3.85Å; W131-I142 HydrophobicContact CB-CD1 4.4Å; W131-I142 HydrophobicContact CB-CG2 4.44Å; W131-I142 PolarHBondContact O-N 3.06Å; Y132-I142 VanDerWaalsContact C-CD1 3.49Å; T133-I142 HydrophobicContact CG2-CD1 3.76Å; T133-I142 HydrophobicContact CG2-CG1 4.04Å; I142-I145 HydrophobicContact CG2-CG2 3.92Å; I142-L164 HydrophobicContact CD1-CD2 4.34Å; I142-V173 HydrophobicContact CG2-CG1 3.81Å; I142-H174 HydrophobicContact CD1-CB 4.01Å; I142-H174 HydrophobicContact CG1-CB 4.22Å; I142-H174 HydrophobicContact CG2-CB 3.88Å |
| 143 | E | 92.7 | Very high | 94.9 | Very high | 170 Ų | 170 | 63.5 Ų | 63.5 | 79% | 0.794 | 36% | 0.359 | S | S | * | . | trans | -105.4 | 166.9 | 177.2 | -59.4 | -171.6 | 166.4 | 0 | 0 | 110.8 | I145 | E143-I145 VanDerWaalsContact C-N 3.31Å; E143-I145 PolarHBondContact O-N 2.95Å | ||
| 144 | G | 84.9 | Confident | 95 | Very high | 76 Ų | 76 | 63.1 Ų | 63.1 | 78% | 0.784 | 36% | 0.357 | S | S | * | . | S | Bend | trans | 79.2 | 6.2 | 174 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 145 | I | 89.7 | Confident | 95 | Very high | 30 Ų | 30 | 62.6 Ų | 62.6 | 15% | 0.154 | 35% | 0.354 | C | S | . | . | trans | -127.5 | 130.7 | 173.9 | -174 | 173.8 | 0 | 0 | 0 | 111.4 | W131 I142 E143 V151 L164 V173 | W131-I145 HydrophobicContact CB-CG2 3.89Å; W131-I145 HydrophobicContact CD2-CG2 4.4Å; W131-I145 HydrophobicContact CG-CG2 3.63Å; W131-I145 HydrophobicContact CZ2-CD1 4.18Å; I142-I145 HydrophobicContact CG2-CG2 3.92Å; E143-I145 VanDerWaalsContact C-N 3.31Å; E143-I145 PolarHBondContact O-N 2.95Å; I145-V151 HydrophobicContact CD1-CG1 4.1Å; I145-L164 HydrophobicContact CD1-CD2 3.8Å; I145-L164 HydrophobicContact CD1-CG 4.18Å; I145-V173 HydrophobicContact CB-CG1 3.71Å; I145-V173 HydrophobicContact CB-CG2 4.36Å; I145-V173 HydrophobicContact CD1-CG1 4.37Å; I145-V173 HydrophobicContact CD1-CG2 4.21Å; I145-V173 HydrophobicContact CG2-CG1 3.69Å | ||
| 146 | G | 89.1 | Confident | 95 | Very high | 53 Ų | 53 | 61.9 Ų | 61.9 | 55% | 0.546 | 35% | 0.349 | S | S | . | . | trans | -83 | -159.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114 | W131 | W131-G146 PolarHBondContact NE1-O 3.39Š| ||
| 147 | Q | 90.1 | Very high | 95.1 | Very high | 126 Ų | 126 | 61.4 Ų | 61.4 | 59% | 0.589 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -63.9 | 131.4 | 172.6 | -179.3 | 173 | -11.3 | 0 | 0 | 110.3 | E149 | Q147-E149 PolarHBondContact O-N 3.26Š|
| 148 | P | 87.8 | Confident | 95.2 | Very high | 9 Ų | 9 | 61.9 Ų | 61.9 | 6% | 0.058 | 34% | 0.337 | C | S | . | . | trans | -73.4 | 122 | 179.2 | 15.9 | -17.6 | 0 | 0 | 0 | 112 | V94 F100 Y126 W131 V151 | V94-P148 HydrophobicContact CB-CB 4.23Å; V94-P148 HydrophobicContact CG2-CB 3.85Å; V94-P148 HydrophobicContact CG2-CG 4.34Å; F100-P148 HydrophobicContact CE1-CG 3.65Å; F100-P148 HydrophobicContact CZ-CB 4.11Å; F100-P148 HydrophobicContact CZ-CG 3.45Å; F100-P148 VanDerWaalsContact CZ-CG 3.45Å; Y126-P148 HydrophobicContact CD1-CG 4.1Å; Y126-P148 HydrophobicContact CD2-CG 4.11Å; Y126-P148 HydrophobicContact CE1-CG 4.29Å; Y126-P148 VanDerWaalsContact CE2-CD 3.46Å; Y126-P148 HydrophobicContact CE2-CG 4.3Å; Y126-P148 HydrophobicContact CG-CG 3.98Å; Y126-P148 VanDerWaalsContact CZ-CD 3.46Å; W131-P148 HydrophobicContact CH2-CB 4.36Å; W131-P148 HydrophobicContact CH2-CG 4.26Å; W131-P148 HydrophobicContact CZ2-CB 3.65Å; W131-P148 HydrophobicContact CZ2-CG 3.52Å; P148-V151 HydrophobicContact CB-CG1 4.1Å | ||
| 149 | E | 94.4 | Very high | 95.2 | Very high | 160 Ų | 160 | 57.3 Ų | 57.3 | 75% | 0.748 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -98.7 | -41.4 | 154.3 | -62.9 | -170.6 | 169.5 | 0 | 0 | 110.4 | T93 V94 Q147 | T93-E149 WeakPolarHBondContact CA-O 3.19Å; V94-E149 PolarHBondContact N-O 3.39Å; Q147-E149 PolarHBondContact O-N 3.26Å |
| 150 | K | 97.6 | Very high | 95.3 | Very high | 84 Ų | 84 | 54.9 Ų | 54.9 | 37% | 0.365 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 134.3 | 175.4 | -157.8 | 179.2 | -152.5 | -159.8 | 0 | 109.8 | E91 V92 T93 V167 | E91-K150 HydrophobicContact CB-CG 4.48Å; E91-K150 WeakPolarHBondContact OE2-CD 3.48Å; E91-K150 WeakPolarHBondContact OE2-CE 3.47Å; E91-K150 IonicContact OE2-NZ 3.89Å; E91-K150 PolarHBondContact OE2-NZ 3.07Å; V92-K150 WeakPolarHBondContact O-CA 3.37Å; T93-K150 WeakPolarHBondContact OG1-CE 3.27Å; K150-V167 HydrophobicContact CD-CG1 4.39Å; K150-V167 HydrophobicContact CG-CG2 4.4Å |
| 151 | V | 97.9 | Very high | 95.4 | Very high | 3 Ų | 3 | 56.2 Ų | 56.2 | 2% | 0.018 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 150.4 | 177.2 | -68.3 | 0 | 0 | 0 | 0 | 110.2 | E91 V92 I102 W131 I145 P148 L164 V167 | E91-V151 CarbonylContact C-O 3.57Å; E91-V151 VanDerWaalsContact CA-O 3.29Å; E91-V151 WeakPolarHBondContact CA-O 3.22Å; V92-V151 HydrophobicContact CB-CG2 4.35Å; V92-V151 PolarHBondContact N-O 2.82Å; V92-V151 PolarHBondContact O-N 3.07Å; I102-V151 HydrophobicContact CD1-CG2 3.5Å; W131-V151 HydrophobicContact CH2-CG1 4.09Å; W131-V151 HydrophobicContact CH2-CG2 4.19Å; W131-V151 HydrophobicContact CZ2-CG1 3.83Å; I145-V151 HydrophobicContact CD1-CG1 4.1Å; P148-V151 HydrophobicContact CB-CG1 4.1Å; V151-L164 HydrophobicContact CB-CD1 4.11Å; V151-L164 HydrophobicContact CG1-CD1 4.49Å; V151-L164 HydrophobicContact CG2-CD1 4.4Å; V151-V167 VanDerWaalsContact C-CG2 3.45Å |
| 152 | G | 98.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 151.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | W90 V165 V167 | W90-G152 CarbonylContact O-C 3.59Å; W90-G152 WeakPolarHBondContact O-CA 3.45Å; G152-V165 PolarHBondContact N-O 3.02Å; G152-V165 PolarHBondContact O-N 2.88Å; G152-V167 VanDerWaalsContact N-CG2 3.3Å |
| 153 | L | 98.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 127.9 | 164.8 | -69.1 | 103.9 | 0 | 0 | 0 | 108.9 | Y89 W90 V92 I102 F124 L162 S163 | Y89-L153 WeakPolarHBondContact CA-O 3.31Å; Y89-L153 WeakPolarHBondContact CD2-O 3.21Å; W90-L153 HydrophobicContact CD2-CB 4.04Å; W90-L153 HydrophobicContact CE3-CB 4.43Å; W90-L153 HydrophobicContact CH2-CB 3.99Å; W90-L153 HydrophobicContact CZ2-CB 3.57Å; W90-L153 HydrophobicContact CZ2-CD1 4.34Å; W90-L153 HydrophobicContact CZ2-CD2 3.96Å; W90-L153 HydrophobicContact CZ2-CG 4.16Å; W90-L153 HydrophobicContact CZ3-CB 4.41Å; W90-L153 PolarHBondContact N-O 2.9Å; W90-L153 VanDerWaalsContact N-O 3.14Å; W90-L153 PolarHBondContact O-N 2.88Å; V92-L153 HydrophobicContact CG2-CD1 3.82Å; I102-L153 HydrophobicContact CD1-CD1 3.96Å; I102-L153 HydrophobicContact CG1-CD1 4.27Å; I102-L153 HydrophobicContact CG1-CD2 4.45Å; F124-L153 HydrophobicContact CD2-CD2 4.07Å; F124-L153 HydrophobicContact CE2-CD2 4.36Å; L153-L162 HydrophobicContact CB-CD1 4.37Å; L153-L162 HydrophobicContact CD2-CD1 4.02Å; L153-L162 HydrophobicContact CD2-CD2 4.26Å; L153-L162 HydrophobicContact CD2-CG 4.39Å; L153-S163 WeakPolarHBondContact CA-O 3.47Å |
| 154 | L | 98.7 | Very high | 95.8 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 117.3 | 171.6 | 174.3 | 66 | 0 | 0 | 0 | 108.4 | Y89 E156 L162 S163 V165 V203 L207 | Y89-L154 HydrophobicContact CD2-CB 4.3Å; L154-E156 HydrophobicContact CD1-CG 4.43Å; L154-E156 HydrophobicContact CD2-CG 4.25Å; L154-E156 HydrophobicContact CG-CG 4.03Å; L154-L162 CarbonylContact O-C 3.56Å; L154-L162 WeakPolarHBondContact O-CA 3.5Å; L154-S163 PolarHBondContact N-O 2.94Å; L154-S163 PolarHBondContact O-N 3.3Å; L154-V165 HydrophobicContact CB-CG2 4.15Å; L154-V203 HydrophobicContact CD1-CG1 3.92Å; L154-V203 HydrophobicContact CD1-CG2 4.01Å; L154-L207 HydrophobicContact CD2-CB 4.28Å |
| 155 | L | 98.6 | Very high | 96.4 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 123.5 | 173.2 | 176.3 | 66.3 | 0 | 0 | 0 | 108.6 | V83 R87 H88 W90 V104 L162 F180 V184 | V83-L155 HydrophobicContact CB-CD2 3.87Å; V83-L155 HydrophobicContact CG1-CD2 3.63Å; V83-L155 HydrophobicContact CG2-CD2 4.04Å; R87-L155 CarbonylContact C-O 3.6Å; R87-L155 VanDerWaalsContact CA-O 3.3Å; R87-L155 WeakPolarHBondContact CA-O 3.49Å; H88-L155 HydrophobicContact CB-CB 4.48Å; H88-L155 PolarHBondContact N-O 2.8Å; H88-L155 PolarHBondContact O-N 2.62Å; W90-L155 HydrophobicContact CH2-CB 4.09Å; W90-L155 HydrophobicContact CZ3-CB 3.76Å; W90-L155 HydrophobicContact CZ3-CD2 4.45Å; V104-L155 HydrophobicContact CG1-CD1 4.45Å; V104-L155 HydrophobicContact CG1-CD2 4.37Å; L155-L162 HydrophobicContact CB-CD1 4.32Å; L155-L162 HydrophobicContact CD1-CD1 4.37Å; L155-F180 HydrophobicContact CD1-CE1 4.49Å; L155-F180 HydrophobicContact CD1-CE2 3.44Å; L155-F180 VanDerWaalsContact CD1-CE2 3.44Å; L155-F180 HydrophobicContact CD1-CZ 3.35Å; L155-V184 HydrophobicContact CD2-CG2 4.03Å |
| 156 | E | 98.2 | Very high | 96.6 | Very high | 36 Ų | 36 | 39.5 Ų | 39.5 | 17% | 0.168 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 93.9 | 172.5 | -52.9 | -173.3 | 101.4 | 0 | 0 | 107.9 | R87 L154 A159 Q160 K161 | R87-E156 HydrophobicContact CG-CB 4.39Å; R87-E156 HydrophobicContact CG-CG 4.15Å; R87-E156 IonicContact CZ-OE1 2.7Å; R87-E156 IonicContact NE-OE1 2.81Å; R87-E156 PolarHBondContact NE-OE1 3.06Å; R87-E156 IonicContact NH2-OE1 3.06Å; L154-E156 HydrophobicContact CD1-CG 4.43Å; L154-E156 HydrophobicContact CD2-CG 4.25Å; L154-E156 HydrophobicContact CG-CG 4.03Å; E156-A159 HydrophobicContact CB-CB 3.87Å; E156-A159 CarbonylContact O-C 3.5Å; E156-A159 PolarHBondContact O-N 3.25Å; E156-Q160 PolarHBondContact O-N 2.93Å; E156-K161 HydrophobicContact CB-CB 4.3Å; E156-K161 PolarHBondContact N-O 3.24Å; E156-K161 PolarHBondContact O-N 2.91Å; E156-K161 VanDerWaalsContact O-N 3.12Å |
| 157 | Y | 98.3 | Very high | 96.9 | Very high | 34 Ų | 34 | 38.5 Ų | 38.5 | 13% | 0.133 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -51.5 | -165.4 | -173 | -90.2 | 0 | 0 | 0 | 112.2 | V83 T84 G86 A159 Q160 F180 G182 V184 | V83-Y157 HydrophobicContact CG1-CD2 4.12Å; T84-Y157 VanDerWaalsContact C-CE1 3.49Å; T84-Y157 WeakPolarHBondContact O-CD1 3.47Å; T84-Y157 WeakPolarHBondContact O-CE1 3.38Å; G86-Y157 PolarHBondContact O-N 3.21Å; Y157-A159 VanDerWaalsContact C-N 3.28Å; Y157-A159 PolarHBondContact O-N 2.85Å; Y157-Q160 PolarHBondContact O-N 3.29Å; Y157-Q160 VanDerWaalsContact O-N 3.08Å; Y157-F180 AromaticContact CD2-CD2 3.81Å; Y157-F180 HydrophobicContact CD2-CD2 3.81Å; Y157-F180 HydrophobicContact CD2-CE2 4.35Å; Y157-F180 HydrophobicContact CD2-CG 4.46Å; Y157-F180 HydrophobicContact CE2-CB 4.04Å; Y157-F180 HydrophobicContact CE2-CD2 4.03Å; Y157-F180 HydrophobicContact CE2-CG 4.24Å; Y157-F180 HydrophobicContact CG-CD2 4.38Å; Y157-G182 PolarHBondContact OH-O 3.13Å; Y157-V184 HydrophobicContact CD2-CG2 4.28Å; Y157-V184 HydrophobicContact CE2-CG2 4.23Å |
| 158 | E | 97.9 | Very high | 97 | Very high | 121 Ų | 121 | 37.4 Ų | 37.4 | 57% | 0.565 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -30.4 | -180 | -64.8 | 78.2 | -173.5 | 0 | 0 | 112.5 | S85 G86 Q160 | S85-E158 WeakPolarHBondContact CA-OE1 3.29Å; S85-E158 VanDerWaalsContact CB-OE1 3.23Å; S85-E158 WeakPolarHBondContact CB-OE1 3.3Å; G86-E158 WeakPolarHBondContact CA-OE2 3.37Å; G86-E158 PolarHBondContact N-OE1 2.78Å; G86-E158 PolarHBondContact N-OE2 3.2Å; E158-Q160 PolarHBondContact O-N 2.66Å |
| 159 | A | 98.1 | Very high | 97.2 | Very high | 47 Ų | 47 | 43.3 Ų | 43.3 | 39% | 0.388 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -4.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | E156 Y157 K161 | E156-A159 HydrophobicContact CB-CB 3.87Å; E156-A159 CarbonylContact O-C 3.5Å; E156-A159 PolarHBondContact O-N 3.25Å; Y157-A159 VanDerWaalsContact C-N 3.28Å; Y157-A159 PolarHBondContact O-N 2.85Å; A159-K161 VanDerWaalsContact C-N 3.31Å; A159-K161 HydrophobicContact CB-CD 4.19Å; A159-K161 HydrophobicContact CB-CG 4.46Å; A159-K161 WeakPolarHBondContact O-CG 3.21Å; A159-K161 PolarHBondContact O-N 3.31Å |
| 160 | Q | 98.3 | Very high | 97.2 | Very high | 53 Ų | 53 | 38.9 Ų | 38.9 | 25% | 0.248 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 44 | -179.2 | -61.8 | -70.6 | -9.7 | 0 | 0 | 112.1 | E156 Y157 E158 T178 F180 | E156-Q160 PolarHBondContact O-N 2.93Å; Y157-Q160 PolarHBondContact O-N 3.29Å; Y157-Q160 VanDerWaalsContact O-N 3.08Å; E158-Q160 PolarHBondContact O-N 2.66Å; Q160-T178 VanDerWaalsContact CA-OG1 3.31Å; Q160-T178 WeakPolarHBondContact CA-OG1 3.33Å; Q160-T178 PolarHBondContact O-N 3.13Å; Q160-T178 PolarHBondContact O-OG1 3.01Å; Q160-T178 PolarHBondContact OE1-OG1 2.75Å; Q160-F180 PolarHBondContact NE2-O 2.97Å; Q160-F180 VanDerWaalsContact OE1-CB 3.26Å; Q160-F180 VanDerWaalsContact OE1-CG 3.23Å |
| 161 | K | 98.6 | Very high | 97.1 | Very high | 73 Ų | 73 | 36.9 Ų | 36.9 | 32% | 0.317 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 138.9 | -177.6 | -71.7 | 170.5 | -170.9 | 177 | 0 | 112.4 | E156 A159 T175 L176 | E156-K161 HydrophobicContact CB-CB 4.3Å; E156-K161 PolarHBondContact N-O 3.24Å; E156-K161 PolarHBondContact O-N 2.91Å; E156-K161 VanDerWaalsContact O-N 3.12Å; A159-K161 VanDerWaalsContact C-N 3.31Å; A159-K161 HydrophobicContact CB-CD 4.19Å; A159-K161 HydrophobicContact CB-CG 4.46Å; A159-K161 WeakPolarHBondContact O-CG 3.21Å; A159-K161 PolarHBondContact O-N 3.31Å; K161-T175 HydrophobicContact CB-CG2 3.88Å; K161-T175 HydrophobicContact CD-CG2 4.02Å; K161-T175 HydrophobicContact CG-CG2 3.75Å; K161-L176 WeakPolarHBondContact CA-O 3.48Å |
| 162 | L | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 120.1 | 162 | -179.5 | 70.4 | 0 | 0 | 0 | 108.8 | W90 V104 W122 F124 L153 L154 L155 L176 T178 | W90-L162 HydrophobicContact CH2-CD1 4.12Å; V104-L162 HydrophobicContact CG1-CD1 4.13Å; V104-L162 HydrophobicContact CG2-CD2 4.26Å; W122-L162 HydrophobicContact CB-CD2 4.46Å; W122-L162 WeakPolarHBondContact O-CD2 3.26Å; F124-L162 HydrophobicContact CD2-CD2 4.48Å; F124-L162 HydrophobicContact CE2-CD2 4.05Å; F124-L162 HydrophobicContact CE2-CG 3.95Å; F124-L162 WeakPolarHBondContact CZ-O 3.2Å; L153-L162 HydrophobicContact CB-CD1 4.37Å; L153-L162 HydrophobicContact CD2-CD1 4.02Å; L153-L162 HydrophobicContact CD2-CD2 4.26Å; L153-L162 HydrophobicContact CD2-CG 4.39Å; L154-L162 CarbonylContact O-C 3.56Å; L154-L162 WeakPolarHBondContact O-CA 3.5Å; L155-L162 HydrophobicContact CB-CD1 4.32Å; L155-L162 HydrophobicContact CD1-CD1 4.37Å; L162-L176 HydrophobicContact CB-CB 4.42Å; L162-L176 PolarHBondContact N-O 3.46Å; L162-L176 VanDerWaalsContact N-O 3.07Å; L162-L176 PolarHBondContact O-N 3.43Å; L162-T178 HydrophobicContact CB-CG2 4.07Å |
| 163 | S | 98.6 | Very high | 97 | Very high | 3 Ų | 3 | 41.3 Ų | 41.3 | 2% | 0.021 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 137.6 | -176.8 | -58.2 | 0 | 0 | 0 | 0 | 112 | L153 L154 H174 T175 | L153-S163 WeakPolarHBondContact CA-O 3.47Å; L154-S163 PolarHBondContact N-O 2.94Å; L154-S163 PolarHBondContact O-N 3.3Å; S163-H174 CarbonylContact C-O 3.6Å; S163-H174 VanDerWaalsContact CA-O 3.24Å; S163-H174 WeakPolarHBondContact CA-O 3.47Å; S163-T175 WeakPolarHBondContact OG-CG2 3.39Å; S163-T175 PolarHBondContact OG-OG1 3.1Å |
| 164 | L | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 128.9 | 169.5 | -174.7 | 64.1 | 0 | 0 | 0 | 108.4 | F124 W131 I142 I145 V151 V173 H174 | F124-L164 HydrophobicContact CB-CD1 4.45Å; F124-L164 HydrophobicContact CB-CD2 4.46Å; F124-L164 HydrophobicContact CD1-CB 4.01Å; F124-L164 HydrophobicContact CD1-CD2 4.17Å; F124-L164 HydrophobicContact CD2-CB 3.87Å; F124-L164 HydrophobicContact CD2-CD1 4.04Å; F124-L164 HydrophobicContact CD2-CG 4.43Å; F124-L164 HydrophobicContact CE1-CB 3.78Å; F124-L164 HydrophobicContact CE2-CB 3.63Å; F124-L164 HydrophobicContact CG-CB 4.04Å; F124-L164 HydrophobicContact CG-CD1 4.2Å; F124-L164 HydrophobicContact CG-CD2 4.2Å; F124-L164 HydrophobicContact CG-CG 4.39Å; F124-L164 HydrophobicContact CZ-CB 3.59Å; F124-L164 VanDerWaalsContact CZ-N 3.32Å; W131-L164 HydrophobicContact CD2-CD2 4.2Å; W131-L164 HydrophobicContact CE3-CD2 3.92Å; W131-L164 HydrophobicContact CH2-CD1 4.28Å; W131-L164 HydrophobicContact CZ3-CD1 4.25Å; W131-L164 HydrophobicContact CZ3-CD2 4.12Å; I142-L164 HydrophobicContact CD1-CD2 4.34Å; I145-L164 HydrophobicContact CD1-CD2 3.8Å; I145-L164 HydrophobicContact CD1-CG 4.18Å; V151-L164 HydrophobicContact CB-CD1 4.11Å; V151-L164 HydrophobicContact CG1-CD1 4.49Å; V151-L164 HydrophobicContact CG2-CD1 4.4Å; L164-V173 PolarHBondContact O-N 2.98Å; L164-H174 PolarHBondContact N-O 2.82Å; L164-H174 PolarHBondContact O-N 3.4Å |
| 165 | V | 97.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 131.8 | -174.4 | 176.9 | 0 | 0 | 0 | 0 | 110.1 | Y89 G152 L154 V167 S171 V172 L207 | Y89-V165 HydrophobicContact CE2-CB 4.22Å; Y89-V165 HydrophobicContact CE2-CG1 4.25Å; Y89-V165 HydrophobicContact CE2-CG2 4.2Å; G152-V165 PolarHBondContact N-O 3.02Å; G152-V165 PolarHBondContact O-N 2.88Å; L154-V165 HydrophobicContact CB-CG2 4.15Å; V165-V167 PolarHBondContact O-N 2.87Å; V165-S171 WeakPolarHBondContact CA-O 3.31Å; V165-V172 HydrophobicContact CG2-CG2 4.46Å; V165-L207 HydrophobicContact CG1-CD1 3.69Å; V165-L207 HydrophobicContact CG1-CD2 4.15Å; V165-L207 HydrophobicContact CG2-CD1 4.17Å; V165-L207 HydrophobicContact CG2-CD2 4.46Å |
| 166 | D | 95.4 | Very high | 96.9 | Very high | 25 Ų | 25 | 47 Ų | 47 | 13% | 0.134 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 109.1 | 163.8 | -176.2 | -21.9 | 0 | 0 | 0 | 108.1 | S168 Q169 V170 S171 V173 | D166-S168 PolarHBondContact O-N 3.37Å; D166-S168 WeakPolarHBondContact OD1-CB 3.32Å; D166-S168 PolarHBondContact OD1-N 3.07Å; D166-S168 PolarHBondContact OD1-OG 3.22Å; D166-Q169 HydrophobicContact CB-CB 4.28Å; D166-Q169 PolarHBondContact O-N 2.88Å; D166-Q169 PolarHBondContact OD1-N 3.03Å; D166-Q169 PolarHBondContact OD2-NE2 2.79Å; D166-V170 WeakPolarHBondContact O-CA 3.39Å; D166-V170 PolarHBondContact O-N 2.99Å; D166-S171 PolarHBondContact N-O 3.21Å; D166-S171 PolarHBondContact O-N 2.73Å; D166-V173 HydrophobicContact CB-CG2 3.74Å |
| 167 | V | 95.2 | Very high | 96.8 | Very high | 33 Ų | 33 | 51 Ų | 51 | 20% | 0.2 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -29.8 | -177.4 | -178 | 0 | 0 | 0 | 0 | 111.7 | E91 K150 V151 G152 V165 | E91-V167 HydrophobicContact CG-CG2 4.03Å; E91-V167 WeakPolarHBondContact OE1-CG1 3Å; K150-V167 HydrophobicContact CD-CG1 4.39Å; K150-V167 HydrophobicContact CG-CG2 4.4Å; V151-V167 VanDerWaalsContact C-CG2 3.45Å; G152-V167 VanDerWaalsContact N-CG2 3.3Å; V165-V167 PolarHBondContact O-N 2.87Å |
| 168 | S | 92.1 | Very high | 96.8 | Very high | 103 Ų | 103 | 50.1 Ų | 50.1 | 72% | 0.72 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -34 | -178.4 | 72.2 | 0 | 0 | 0 | 0 | 112.4 | D166 | D166-S168 PolarHBondContact O-N 3.37Å; D166-S168 WeakPolarHBondContact OD1-CB 3.32Å; D166-S168 PolarHBondContact OD1-N 3.07Å; D166-S168 PolarHBondContact OD1-OG 3.22Å |
| 169 | Q | 91.9 | Very high | 96.7 | Very high | 133 Ų | 133 | 48.1 Ų | 48.1 | 62% | 0.621 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | -10.7 | -179.8 | -63.7 | -176.3 | 58.9 | 0 | 0 | 113 | D166 S171 | D166-Q169 HydrophobicContact CB-CB 4.28Å; D166-Q169 PolarHBondContact O-N 2.88Å; D166-Q169 PolarHBondContact OD1-N 3.03Å; D166-Q169 PolarHBondContact OD2-NE2 2.79Å; Q169-S171 VanDerWaalsContact C-N 3.26Å; Q169-S171 WeakPolarHBondContact CB-OG 3.32Å; Q169-S171 PolarHBondContact O-N 3.07Å |
| 170 | V | 93.5 | Very high | 96.6 | Very high | 66 Ų | 66 | 46.4 Ų | 46.4 | 40% | 0.4 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | 50.3 | -173.6 | -165.6 | 0 | 0 | 0 | 0 | 110.3 | D166 P204 L207 | D166-V170 WeakPolarHBondContact O-CA 3.39Å; D166-V170 PolarHBondContact O-N 2.99Å; V170-P204 HydrophobicContact CG1-CB 3.56Å; V170-P204 HydrophobicContact CG1-CG 4.43Å; V170-L207 HydrophobicContact CG1-CD1 4.13Å; V170-L207 HydrophobicContact CG1-CG 4.04Å; V170-L207 WeakPolarHBondContact O-CD2 3.41Å |
| 171 | S | 95.4 | Very high | 96.5 | Very high | 42 Ų | 42 | 51 Ų | 51 | 29% | 0.294 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 147.1 | -175.6 | 66.1 | 0 | 0 | 0 | 0 | 111.9 | V165 D166 Q169 V173 | V165-S171 WeakPolarHBondContact CA-O 3.31Å; D166-S171 PolarHBondContact N-O 3.21Å; D166-S171 PolarHBondContact O-N 2.73Å; Q169-S171 VanDerWaalsContact C-N 3.26Å; Q169-S171 WeakPolarHBondContact CB-OG 3.32Å; Q169-S171 PolarHBondContact O-N 3.07Å; S171-V173 PolarHBondContact O-N 3.43Å |
| 172 | V | 97.2 | Very high | 96.4 | Very high | 62 Ų | 62 | 48.3 Ų | 48.3 | 38% | 0.376 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 120.8 | 172.6 | 174.3 | 0 | 0 | 0 | 0 | 109 | V165 T175 L207 | V165-V172 HydrophobicContact CG2-CG2 4.46Å; V172-T175 WeakPolarHBondContact CG1-OG1 3.35Å; V172-L207 HydrophobicContact CG2-CD2 4Å |
| 173 | V | 96.8 | Very high | 96.4 | Very high | 34 Ų | 34 | 50.8 Ų | 50.8 | 21% | 0.206 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | -46.5 | 174.8 | 173.5 | 0 | 0 | 0 | 0 | 110.4 | I142 I145 L164 D166 S171 | I142-V173 HydrophobicContact CG2-CG1 3.81Å; I145-V173 HydrophobicContact CB-CG1 3.71Å; I145-V173 HydrophobicContact CB-CG2 4.36Å; I145-V173 HydrophobicContact CD1-CG1 4.37Å; I145-V173 HydrophobicContact CD1-CG2 4.21Å; I145-V173 HydrophobicContact CG2-CG1 3.69Å; L164-V173 PolarHBondContact O-N 2.98Å; D166-V173 HydrophobicContact CB-CG2 3.74Å; S171-V173 PolarHBondContact O-N 3.43Å |
| 174 | H | 98 | Very high | 96.4 | Very high | 67 Ų | 67 | 50.7 Ų | 50.7 | 31% | 0.31 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 154.5 | -177.7 | -158.2 | 81.6 | 0 | 0 | 0 | 110.8 | F124 T133 I142 S163 L164 | F124-H174 HydrophobicContact CE1-CB 4.29Å; T133-H174 WeakPolarHBondContact CG2-CD2 3.38Å; T133-H174 WeakPolarHBondContact CG2-NE2 3.25Å; I142-H174 HydrophobicContact CD1-CB 4.01Å; I142-H174 HydrophobicContact CG1-CB 4.22Å; I142-H174 HydrophobicContact CG2-CB 3.88Å; S163-H174 CarbonylContact C-O 3.6Å; S163-H174 VanDerWaalsContact CA-O 3.24Å; S163-H174 WeakPolarHBondContact CA-O 3.47Å; L164-H174 PolarHBondContact N-O 2.82Å; L164-H174 PolarHBondContact O-N 3.4Å |
| 175 | T | 98.3 | Very high | 96.4 | Very high | 47 Ų | 47 | 51 Ų | 51 | 29% | 0.288 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 122.4 | 176.7 | -61.9 | 0 | 0 | 0 | 0 | 110.5 | K161 S163 V172 | K161-T175 HydrophobicContact CB-CG2 3.88Å; K161-T175 HydrophobicContact CD-CG2 4.02Å; K161-T175 HydrophobicContact CG-CG2 3.75Å; S163-T175 WeakPolarHBondContact OG-CG2 3.39Å; S163-T175 PolarHBondContact OG-OG1 3.1Å; V172-T175 WeakPolarHBondContact CG1-OG1 3.35Å |
| 176 | L | 97.5 | Very high | 96.4 | Very high | 9 Ų | 9 | 51 Ų | 51 | 5% | 0.047 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 126.8 | 165.9 | -85 | 169.3 | 0 | 0 | 0 | 109.4 | W122 V123 F124 T133 L135 K161 L162 | W122-L176 HydrophobicContact CB-CD1 4.4Å; V123-L176 WeakPolarHBondContact O-CD1 3.25Å; F124-L176 HydrophobicContact CD1-CD1 4.26Å; F124-L176 HydrophobicContact CE1-CD1 3.91Å; F124-L176 HydrophobicContact CE1-CG 3.99Å; F124-L176 HydrophobicContact CE2-CD1 4.47Å; F124-L176 HydrophobicContact CZ-CB 4.46Å; F124-L176 HydrophobicContact CZ-CD1 4.02Å; F124-L176 HydrophobicContact CZ-CG 4.15Å; T133-L176 HydrophobicContact CG2-CD1 4.27Å; T133-L176 HydrophobicContact CG2-CD2 3.61Å; T133-L176 HydrophobicContact CG2-CG 3.73Å; L135-L176 HydrophobicContact CD2-CD2 3.5Å; L135-L176 VanDerWaalsContact CD2-CD2 3.5Å; K161-L176 WeakPolarHBondContact CA-O 3.48Å; L162-L176 HydrophobicContact CB-CB 4.42Å; L162-L176 PolarHBondContact N-O 3.46Å; L162-L176 VanDerWaalsContact N-O 3.07Å; L162-L176 PolarHBondContact O-N 3.43Å |
| 177 | Q | 97.6 | Very high | 96.6 | Very high | 118 Ų | 118 | 49.9 Ų | 49.9 | 55% | 0.551 | 27% | 0.272 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 135.9 | 159.9 | -63.5 | -54.4 | -63.1 | 0 | 0 | 108.3 | ||
| 178 | T | 97.1 | Very high | 96.8 | Very high | 16 Ų | 16 | 48.3 Ų | 48.3 | 10% | 0.098 | 26% | 0.263 | C | S | . | . | trans | -120.6 | 172.2 | -175.9 | 67.7 | 0 | 0 | 0 | 0 | 110.4 | W122 Q160 L162 F180 | W122-T178 HydrophobicContact CB-CG2 3.94Å; W122-T178 HydrophobicContact CD2-CG2 4.09Å; W122-T178 HydrophobicContact CG-CG2 3.63Å; Q160-T178 VanDerWaalsContact CA-OG1 3.31Å; Q160-T178 WeakPolarHBondContact CA-OG1 3.33Å; Q160-T178 PolarHBondContact O-N 3.13Å; Q160-T178 PolarHBondContact O-OG1 3.01Å; Q160-T178 PolarHBondContact OE1-OG1 2.75Å; L162-T178 HydrophobicContact CB-CG2 4.07Å; T178-F180 VanDerWaalsContact CB-CE1 3.46Å; T178-F180 HydrophobicContact CG2-CE1 3.75Å; T178-F180 HydrophobicContact CG2-CE2 4.43Å; T178-F180 HydrophobicContact CG2-CZ 3.6Å; T178-F180 WeakPolarHBondContact OG1-CE1 3.5Å; T178-F180 WeakPolarHBondContact OG1-CE2 3.23Å; T178-F180 WeakPolarHBondContact OG1-CZ 3.42Å | ||
| 179 | D | 96.1 | Very high | 97.1 | Very high | 79 Ų | 79 | 43.4 Ų | 43.4 | 42% | 0.422 | 23% | 0.228 | S | C | . | . | trans | -138.7 | 64.8 | 175.1 | -178.4 | 37.3 | 0 | 0 | 0 | 108.2 | W122 R181 | W122-D179 WeakPolarHBondContact CH2-O 3.08Å; W122-D179 HydrophobicContact CZ2-CB 4.27Å; W122-D179 WeakPolarHBondContact CZ2-O 3.13Å; D179-R181 PolarHBondContact O-N 3.1Å; D179-R181 VanDerWaalsContact O-N 3.16Å; D179-R181 IonicContact OD2-CZ 3.65Å; D179-R181 VanDerWaalsContact OD2-CZ 3.28Å; D179-R181 IonicContact OD2-NE 2.91Å; D179-R181 PolarHBondContact OD2-NE 3.28Å; D179-R181 IonicContact OD2-NH2 3.78Å; D179-R181 PolarHBondContact OD2-NH2 3.27Å | ||
| 180 | F | 96.6 | Very high | 97.3 | Very high | 11 Ų | 11 | 37 Ų | 37 | 5% | 0.048 | 20% | 0.199 | C | C | . | . | trans | -64.4 | 115.4 | 179 | -53.3 | -40.2 | 0 | 0 | 0 | 109.7 | V104 W122 L155 Y157 Q160 T178 V184 | V104-F180 HydrophobicContact CG2-CE1 3.67Å; V104-F180 HydrophobicContact CG2-CZ 3.97Å; W122-F180 HydrophobicContact CD2-CD1 4.38Å; W122-F180 HydrophobicContact CD2-CE1 4Å; W122-F180 AromaticContact CE3-CD1 3.83Å; W122-F180 HydrophobicContact CE3-CD1 3.83Å; W122-F180 AromaticContact CE3-CE1 3.56Å; W122-F180 HydrophobicContact CE3-CE1 3.56Å; W122-F180 AromaticContact CH2-CD1 3.78Å; W122-F180 HydrophobicContact CH2-CD1 3.78Å; W122-F180 HydrophobicContact CH2-CE1 4.35Å; W122-F180 HydrophobicContact CZ2-CD1 4.34Å; W122-F180 AromaticContact CZ3-CD1 3.5Å; W122-F180 HydrophobicContact CZ3-CD1 3.5Å; W122-F180 AromaticContact CZ3-CE1 3.76Å; W122-F180 HydrophobicContact CZ3-CE1 3.76Å; L155-F180 HydrophobicContact CD1-CE1 4.49Å; L155-F180 HydrophobicContact CD1-CE2 3.44Å; L155-F180 VanDerWaalsContact CD1-CE2 3.44Å; L155-F180 HydrophobicContact CD1-CZ 3.35Å; Y157-F180 AromaticContact CD2-CD2 3.81Å; Y157-F180 HydrophobicContact CD2-CD2 3.81Å; Y157-F180 HydrophobicContact CD2-CE2 4.35Å; Y157-F180 HydrophobicContact CD2-CG 4.46Å; Y157-F180 HydrophobicContact CE2-CB 4.04Å; Y157-F180 HydrophobicContact CE2-CD2 4.03Å; Y157-F180 HydrophobicContact CE2-CG 4.24Å; Y157-F180 HydrophobicContact CG-CD2 4.38Å; Q160-F180 PolarHBondContact NE2-O 2.97Å; Q160-F180 VanDerWaalsContact OE1-CB 3.26Å; Q160-F180 VanDerWaalsContact OE1-CG 3.23Å; T178-F180 VanDerWaalsContact CB-CE1 3.46Å; T178-F180 HydrophobicContact CG2-CE1 3.75Å; T178-F180 HydrophobicContact CG2-CE2 4.43Å; T178-F180 HydrophobicContact CG2-CZ 3.6Å; T178-F180 WeakPolarHBondContact OG1-CE1 3.5Å; T178-F180 WeakPolarHBondContact OG1-CE2 3.23Å; T178-F180 WeakPolarHBondContact OG1-CZ 3.42Å; F180-V184 HydrophobicContact CB-CG1 4.41Å; F180-V184 HydrophobicContact CD1-CG1 3.54Å; F180-V184 HydrophobicContact CE1-CG1 4Å; F180-V184 HydrophobicContact CE1-CG2 4.47Å; F180-V184 HydrophobicContact CG-CG1 4.07Å | ||
| 181 | R | 95.1 | Very high | 97.5 | Very high | 149 Ų | 149 | 36.7 Ų | 36.7 | 56% | 0.562 | 19% | 0.19 | S | C | * | . | trans | -98.4 | -3.1 | 177.7 | -63.3 | 169.4 | -170.8 | 160.3 | 5.4 | 112.5 | D119 D179 | D119-R181 IonicContact OD2-CZ 3.7Å; D119-R181 IonicContact OD2-NH1 2.61Å; D119-R181 PolarHBondContact OD2-NH1 3.19Å; D119-R181 VanDerWaalsContact OD2-NH1 3.09Å; D119-R181 IonicContact OD2-NH2 3.87Å; D179-R181 PolarHBondContact O-N 3.1Å; D179-R181 VanDerWaalsContact O-N 3.16Å; D179-R181 IonicContact OD2-CZ 3.65Å; D179-R181 VanDerWaalsContact OD2-CZ 3.28Å; D179-R181 IonicContact OD2-NE 2.91Å; D179-R181 PolarHBondContact OD2-NE 3.28Å; D179-R181 IonicContact OD2-NH2 3.78Å; D179-R181 PolarHBondContact OD2-NH2 3.27Å | ||
| 182 | G | 96.9 | Very high | 97.5 | Very high | 18 Ų | 18 | 36.9 Ų | 36.9 | 19% | 0.186 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -171.9 | -164.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y157 | Y157-G182 PolarHBondContact OH-O 3.13Š|
| 183 | P | 98.3 | Very high | 97.5 | Very high | 52 Ų | 52 | 34.7 Ų | 34.7 | 34% | 0.338 | 18% | 0.178 | S | C | . | . | trans | -62.5 | 136.7 | 176 | -18.7 | 30.9 | 0 | 0 | 0 | 111.6 | A82 V83 T84 V107 | A82-P183 HydrophobicContact CB-CB 3.92Å; V83-P183 WeakPolarHBondContact O-CA 3.29Å; T84-P183 HydrophobicContact CG2-CB 3.74Å; T84-P183 HydrophobicContact CG2-CG 3.84Å; V107-P183 HydrophobicContact CG1-CB 4.1Å; V107-P183 HydrophobicContact CG2-CB 4.21Å; V107-P183 PolarHBondContact N-O 2.91Å; V107-P183 VanDerWaalsContact N-O 3.15Å | ||
| 184 | V | 98.8 | Very high | 97.5 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.006 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 151.5 | 174.9 | -63.7 | 0 | 0 | 0 | 0 | 111.2 | A82 V83 V104 A105 W122 L155 Y157 F180 | A82-V184 CarbonylContact C-O 3.52Å; A82-V184 WeakPolarHBondContact CA-O 3.44Å; V83-V184 HydrophobicContact CB-CG2 4.34Å; V83-V184 PolarHBondContact N-O 3.42Å; V83-V184 PolarHBondContact O-N 2.88Å; V83-V184 VanDerWaalsContact O-N 3.07Å; V104-V184 HydrophobicContact CB-CB 4.26Å; V104-V184 HydrophobicContact CB-CG2 4.37Å; V104-V184 HydrophobicContact CG2-CB 4.39Å; V104-V184 HydrophobicContact CG2-CG2 4.4Å; A105-V184 CarbonylContact O-C 3.58Å; A105-V184 WeakPolarHBondContact O-CA 3.47Å; A105-V184 WeakPolarHBondContact O-CB 3.5Å; W122-V184 HydrophobicContact CZ3-CG1 4.27Å; L155-V184 HydrophobicContact CD2-CG2 4.03Å; Y157-V184 HydrophobicContact CD2-CG2 4.28Å; Y157-V184 HydrophobicContact CE2-CG2 4.23Å; F180-V184 HydrophobicContact CB-CG1 4.41Å; F180-V184 HydrophobicContact CD1-CG1 3.54Å; F180-V184 HydrophobicContact CE1-CG1 4Å; F180-V184 HydrophobicContact CE1-CG2 4.47Å; F180-V184 HydrophobicContact CG-CG1 4.07Å |
| 185 | V | 98.8 | Very high | 97.6 | Very high | 7 Ų | 7 | 31.1 Ų | 31.1 | 4% | 0.042 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 147.2 | 175.7 | -72.5 | 0 | 0 | 0 | 0 | 110.2 | L78 A82 V104 A105 V107 A187 | L78-V185 HydrophobicContact CB-CG2 4.05Å; L78-V185 HydrophobicContact CD1-CG2 4.04Å; L78-V185 HydrophobicContact CD2-CG2 4.35Å; L78-V185 HydrophobicContact CG-CG2 4.37Å; A82-V185 HydrophobicContact CB-CG1 3.99Å; V104-V185 CarbonylContact C-O 3.57Å; V104-V185 VanDerWaalsContact CA-O 3.24Å; V104-V185 WeakPolarHBondContact CA-O 3.39Å; A105-V185 PolarHBondContact N-O 2.83Å; A105-V185 PolarHBondContact O-N 3.09Å; V107-V185 HydrophobicContact CG1-CG1 3.69Å; V107-V185 HydrophobicContact CG1-CG2 4.42Å; V185-A187 PolarHBondContact O-N 3.13Å |
| 186 | P | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -51.6 | 135.6 | 164.6 | -25.3 | 31.6 | 0 | 0 | 0 | 111.3 | F32 A79 W90 G103 F188 | F32-P186 HydrophobicContact CD1-CG 3.78Å; F32-P186 HydrophobicContact CD2-CG 4.49Å; F32-P186 HydrophobicContact CE1-CB 4.11Å; F32-P186 HydrophobicContact CE1-CG 3.58Å; F32-P186 HydrophobicContact CE2-CB 4.13Å; F32-P186 HydrophobicContact CE2-CG 4.34Å; F32-P186 HydrophobicContact CG-CG 4.24Å; F32-P186 HydrophobicContact CZ-CB 3.87Å; F32-P186 HydrophobicContact CZ-CG 3.89Å; A79-P186 HydrophobicContact CB-CB 3.78Å; A79-P186 HydrophobicContact CB-CG 3.97Å; A79-P186 WeakPolarHBondContact CB-O 3.17Å; A79-P186 PolarHBondContact N-O 3.2Å; W90-P186 HydrophobicContact CH2-CG 4.47Å; W90-P186 HydrophobicContact CZ2-CB 4.15Å; W90-P186 HydrophobicContact CZ2-CG 4.27Å; G103-P186 WeakPolarHBondContact O-CA 3.35Å; P186-F188 HydrophobicContact CB-CE2 3.81Å; P186-F188 HydrophobicContact CB-CZ 3.81Å |
| 187 | A | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 137 | -172.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | L78 G103 A105 I115 V185 | L78-A187 HydrophobicContact CD2-CB 3.45Å; L78-A187 VanDerWaalsContact CD2-CB 3.45Å; G103-A187 PolarHBondContact N-O 3.23Å; G103-A187 PolarHBondContact O-N 2.91Å; A105-A187 HydrophobicContact CB-CB 3.93Å; I115-A187 HydrophobicContact CD1-CB 4.26Å; I115-A187 HydrophobicContact CG2-CB 4.03Å; V185-A187 PolarHBondContact O-N 3.13Å |
| 188 | F | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 136.7 | -172.2 | -48.9 | -85.4 | 0 | 0 | 0 | 111 | F32 L34 V76 V77 V92 R101 I102 P186 L195 T197 | F32-F188 HydrophobicContact CE2-CE2 4.11Å; F32-F188 HydrophobicContact CE2-CZ 4.09Å; F32-F188 HydrophobicContact CZ-CZ 4.13Å; L34-F188 HydrophobicContact CD2-CD2 3.57Å; L34-F188 HydrophobicContact CD2-CE2 3.61Å; V76-F188 CarbonylContact C-O 3.51Å; V76-F188 WeakPolarHBondContact CA-O 3.32Å; V77-F188 HydrophobicContact CG1-CB 4.11Å; V77-F188 PolarHBondContact N-O 2.99Å; V77-F188 PolarHBondContact O-N 2.84Å; V92-F188 HydrophobicContact CG2-CE1 3.79Å; R101-F188 WeakPolarHBondContact O-CA 3.48Å; I102-F188 HydrophobicContact CB-CD1 4.24Å; I102-F188 HydrophobicContact CG2-CD1 3.81Å; I102-F188 HydrophobicContact CG2-CE1 4.41Å; P186-F188 HydrophobicContact CB-CE2 3.81Å; P186-F188 HydrophobicContact CB-CZ 3.81Å; F188-L195 HydrophobicContact CB-CD1 4.21Å; F188-L195 HydrophobicContact CD1-CD1 4.32Å; F188-T197 HydrophobicContact CE1-CG2 3.89Å; F188-T197 HydrophobicContact CE2-CG2 4Å; F188-T197 HydrophobicContact CZ-CG2 3.58Å |
| 189 | A | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 139.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | A75 V76 F100 R101 I115 W191 | A75-A189 WeakPolarHBondContact O-CA 3.49Å; A75-A189 WeakPolarHBondContact O-CB 3.3Å; V76-A189 HydrophobicContact CG2-CB 3.92Å; F100-A189 CarbonylContact C-O 3.6Å; F100-A189 WeakPolarHBondContact CA-O 3.17Å; F100-A189 VanDerWaalsContact CB-O 3.26Å; F100-A189 WeakPolarHBondContact CB-O 3.38Å; R101-A189 HydrophobicContact CB-CB 4.14Å; R101-A189 PolarHBondContact N-O 3.39Å; R101-A189 PolarHBondContact O-N 2.98Å; I115-A189 HydrophobicContact CD1-CB 3.79Å; I115-A189 HydrophobicContact CG1-CB 3.94Å; A189-W191 HydrophobicContact CB-CH2 3.81Å; A189-W191 HydrophobicContact CB-CZ2 4.47Å; A189-W191 HydrophobicContact CB-CZ3 4.03Å |
| 190 | L | 97.1 | Very high | 97.7 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 142.3 | -179 | 65.9 | 165.9 | 0 | 0 | 0 | 110.8 | L43 V52 Y54 A75 F100 L195 | L43-L190 HydrophobicContact CD1-CD2 3.94Å; L43-L190 HydrophobicContact CD2-CD2 3.42Å; L43-L190 VanDerWaalsContact CD2-CD2 3.42Å; L43-L190 HydrophobicContact CD2-CG 3.84Å; L43-L190 HydrophobicContact CG-CD2 4.32Å; V52-L190 HydrophobicContact CG1-CD1 4.28Å; V52-L190 HydrophobicContact CG1-CD2 3.82Å; V52-L190 HydrophobicContact CG2-CD2 3.97Å; Y54-L190 VanDerWaalsContact CD2-O 3.28Å; Y54-L190 WeakPolarHBondContact CD2-O 3.36Å; A75-L190 VanDerWaalsContact CB-O 3.26Å; A75-L190 WeakPolarHBondContact CB-O 3.38Å; A75-L190 PolarHBondContact O-N 3.06Å; F100-L190 HydrophobicContact CB-CB 4.27Å; L190-L195 HydrophobicContact CD1-CG 4.4Å |
| 191 | W | 96.1 | Very high | 97.7 | Very high | 58 Ų | 58 | 27.7 Ų | 27.7 | 22% | 0.22 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -116.3 | -2.6 | -179.8 | -66.9 | -92.6 | 0 | 0 | 0 | 113 | Y54 Q99 R101 A189 | Y54-W191 VanDerWaalsContact CD1-O 3.23Å; Y54-W191 WeakPolarHBondContact CD1-O 3.45Å; Y54-W191 VanDerWaalsContact CE1-O 3.23Å; Y54-W191 WeakPolarHBondContact CE1-O 3.2Å; Q99-W191 HydrophobicContact CB-CB 4.49Å; Q99-W191 HydrophobicContact CG-CB 4.46Å; Q99-W191 HydrophobicContact CG-CD2 4.31Å; Q99-W191 HydrophobicContact CG-CE3 3.77Å; Q99-W191 HydrophobicContact CG-CZ3 4.42Å; Q99-W191 PolarHBondContact O-N 3.32Å; R101-W191 HydrophobicContact CG-CH2 4.04Å; R101-W191 HydrophobicContact CG-CZ3 3.99Å; A189-W191 HydrophobicContact CB-CH2 3.81Å; A189-W191 HydrophobicContact CB-CZ2 4.47Å; A189-W191 HydrophobicContact CB-CZ3 4.03Å |
| 192 | D | 96.5 | Very high | 97.8 | Very high | 47 Ų | 47 | 27 Ų | 27 | 25% | 0.251 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -158 | 166.8 | 174.8 | 63.1 | -8.9 | 0 | 0 | 0 | 110.3 | S97 Q98 Q99 | S97-D192 WeakPolarHBondContact CA-OD1 3.39Å; S97-D192 WeakPolarHBondContact CB-O 3.16Å; S97-D192 VanDerWaalsContact CB-OD1 3.28Å; S97-D192 WeakPolarHBondContact CB-OD1 3.26Å; S97-D192 PolarHBondContact OG-O 3.23Å; S97-D192 PolarHBondContact OG-OD1 3.27Å; Q98-D192 VanDerWaalsContact N-CG 3.31Å; Q98-D192 PolarHBondContact N-OD1 2.79Å; Q98-D192 PolarHBondContact N-OD2 3.17Å; Q99-D192 PolarHBondContact N-OD1 3.21Å; Q99-D192 VanDerWaalsContact N-OD1 3.17Å |
| 193 | G | 96.8 | Very high | 97.7 | Very high | 16 Ų | 16 | 27.9 Ų | 27.9 | 17% | 0.165 | 16% | 0.156 | C | C | . | . | S | Bend | trans | 61.2 | -147.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115 | Y54 K95 R96 | Y54-G193 PolarHBondContact N-O 3.33Å; K95-G193 WeakPolarHBondContact O-CA 3.41Å; R96-G193 WeakPolarHBondContact O-CA 3.48Å; R96-G193 PolarHBondContact O-N 2.6Å |
| 194 | E | 97.7 | Very high | 97.5 | Very high | 25 Ų | 25 | 26.7 Ų | 26.7 | 12% | 0.117 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 151.2 | -178.9 | 65.6 | -164.4 | -140 | 0 | 0 | 111.6 | F46 V52 K53 K95 R96 | F46-E194 HydrophobicContact CE1-CB 4.14Å; F46-E194 HydrophobicContact CZ-CB 4.26Å; F46-E194 HydrophobicContact CZ-CG 4.41Å; V52-E194 CarbonylContact O-C 3.51Å; V52-E194 WeakPolarHBondContact O-CA 3.37Å; V52-E194 WeakPolarHBondContact O-CB 3.28Å; K53-E194 HydrophobicContact CB-CB 3.9Å; K53-E194 HydrophobicContact CG-CB 4.09Å; K95-E194 HydrophobicContact CB-CG 3.62Å; K95-E194 HydrophobicContact CD-CG 4.43Å; K95-E194 WeakPolarHBondContact CD-OE1 3.28Å; K95-E194 PolarHBondContact N-O 3.02Å; K95-E194 PolarHBondContact O-N 2.85Å; R96-E194 IonicContact CZ-OE2 3.91Å; R96-E194 IonicContact NH2-OE2 2.83Å; R96-E194 PolarHBondContact NH2-OE2 3.44Å |
| 195 | L | 98.6 | Very high | 97.2 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 143.8 | 171 | -59.7 | 178.8 | 0 | 0 | 0 | 109.3 | G51 V52 V92 T93 V94 F100 I102 F188 L190 | G51-L195 CarbonylContact C-O 3.47Å; G51-L195 WeakPolarHBondContact CA-O 3.33Å; V52-L195 HydrophobicContact CG1-CB 4.04Å; V52-L195 PolarHBondContact N-O 2.86Å; V52-L195 PolarHBondContact O-N 3.39Å; V92-L195 HydrophobicContact CG1-CB 4.1Å; V92-L195 HydrophobicContact CG1-CD1 4.48Å; V92-L195 HydrophobicContact CG1-CD2 3.98Å; V92-L195 HydrophobicContact CG1-CG 4.42Å; T93-L195 WeakPolarHBondContact O-CA 3.4Å; V94-L195 HydrophobicContact CB-CD2 4.16Å; V94-L195 HydrophobicContact CG1-CD2 4.02Å; V94-L195 HydrophobicContact CG2-CD2 3.75Å; F100-L195 HydrophobicContact CG-CD2 4.47Å; I102-L195 HydrophobicContact CG2-CD1 4.03Å; F188-L195 HydrophobicContact CB-CD1 4.21Å; F188-L195 HydrophobicContact CD1-CD1 4.32Å; L190-L195 HydrophobicContact CD1-CG 4.4Å |
| 196 | L | 98.8 | Very high | 96.6 | Very high | 28 Ų | 28 | 36.4 Ų | 36.4 | 15% | 0.147 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 122.5 | 170.9 | 179.4 | 68.3 | 0 | 0 | 0 | 109.2 | V92 T93 | V92-L196 CarbonylContact C-O 3.59Å; V92-L196 WeakPolarHBondContact CA-O 3.44Å; T93-L196 PolarHBondContact N-O 2.83Å; T93-L196 PolarHBondContact O-N 3.49Å |
| 197 | T | 98.7 | Very high | 96.1 | Very high | 6 Ų | 6 | 38.4 Ų | 38.4 | 4% | 0.037 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 142.4 | -178.6 | 64 | 0 | 0 | 0 | 0 | 111 | F32 L34 T50 E91 F188 | F32-T197 HydrophobicContact CE2-CG2 4.1Å; F32-T197 HydrophobicContact CZ-CG2 4.47Å; L34-T197 HydrophobicContact CD2-CG2 4.38Å; T50-T197 PolarHBondContact O-N 2.85Å; T50-T197 PolarHBondContact O-OG1 3.36Å; E91-T197 CarbonylContact O-C 3.59Å; E91-T197 WeakPolarHBondContact O-CA 3.17Å; F188-T197 HydrophobicContact CE1-CG2 3.89Å; F188-T197 HydrophobicContact CE2-CG2 4Å; F188-T197 HydrophobicContact CZ-CG2 3.58Å |
| 198 | H | 98.4 | Very high | 96 | Very high | 55 Ų | 55 | 40.4 Ų | 40.4 | 26% | 0.255 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 98.6 | 175.8 | -48.9 | -89.6 | 0 | 0 | 0 | 107.7 | W90 E91 T93 L201 | W90-H198 WeakPolarHBondContact CA-O 3.4Å; W90-H198 WeakPolarHBondContact CB-O 3.37Å; E91-H198 HydrophobicContact CB-CB 4.2Å; E91-H198 PolarHBondContact N-O 3.07Å; E91-H198 PolarHBondContact O-N 3.14Å; T93-H198 PolarHBondContact OG1-NE2 3.33Å; H198-L201 HydrophobicContact CB-CD1 4.23Å; H198-L201 WeakPolarHBondContact O-CD1 3.23Å |
| 199 | S | 97.9 | Very high | 95.8 | Very high | 28 Ų | 28 | 42.5 Ų | 42.5 | 20% | 0.196 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 174.1 | -176.2 | 69.7 | 0 | 0 | 0 | 0 | 111.2 | V30 F32 L201 | V30-S199 WeakPolarHBondContact O-CB 3.44Å; F32-S199 VanDerWaalsContact CD1-CB 3.47Å; F32-S199 PolarHBondContact N-OG 3.06Å; F32-S199 VanDerWaalsContact N-OG 3.09Å; F32-S199 PolarHBondContact O-OG 2.72Å; S199-L201 PolarHBondContact O-N 2.83Å |
| 200 | G | 96.6 | Very high | 95.7 | Very high | 33 Ų | 33 | 44.8 Ų | 44.8 | 34% | 0.34 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 74.4 | 16.1 | -176 | 0 | 0 | 0 | 0 | 0 | 113.5 | V30 | V30-G200 WeakPolarHBondContact O-CA 3.26Å; V30-G200 PolarHBondContact O-N 3.05Å |
| 201 | L | 96.6 | Very high | 95.6 | Very high | 58 Ų | 58 | 47.5 Ų | 47.5 | 30% | 0.304 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 142.8 | 179.6 | -57.8 | 179 | 0 | 0 | 0 | 110.5 | G29 Y89 E91 H198 S199 | G29-L201 VanDerWaalsContact CA-O 3.25Å; G29-L201 WeakPolarHBondContact CA-O 3.36Å; Y89-L201 HydrophobicContact CD1-CB 3.97Å; Y89-L201 HydrophobicContact CD1-CD1 4.12Å; Y89-L201 HydrophobicContact CE1-CD1 4.06Å; E91-L201 HydrophobicContact CB-CD1 4.32Å; E91-L201 HydrophobicContact CG-CD1 3.87Å; H198-L201 HydrophobicContact CB-CD1 4.23Å; H198-L201 WeakPolarHBondContact O-CD1 3.23Å; S199-L201 PolarHBondContact O-N 2.83Å |
| 202 | E | 95.6 | Very high | 95.6 | Very high | 134 Ų | 134 | 46.8 Ų | 46.8 | 63% | 0.626 | 30% | 0.297 | S | S | * | . | P | Polyproline II helix | trans | -69.7 | 154.1 | 165.8 | -64.6 | -176.7 | 172.3 | 0 | 0 | 109.9 | P204 | E202-P204 VanDerWaalsContact O-CD 3.26Å; E202-P204 WeakPolarHBondContact O-CD 3.23Å |
| 203 | V | 96.1 | Very high | 95.5 | Very high | 36 Ų | 36 | 46.8 Ų | 46.8 | 22% | 0.218 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 122 | 172.2 | -178.7 | 0 | 0 | 0 | 0 | 108.3 | R87 L154 L207 | R87-V203 HydrophobicContact CB-CG2 4.21Å; L154-V203 HydrophobicContact CD1-CG1 3.92Å; L154-V203 HydrophobicContact CD1-CG2 4.01Å; V203-L207 HydrophobicContact CG1-CB 4.13Å |
| 204 | P | 94.2 | Very high | 95.4 | Very high | 27 Ų | 27 | 49 Ų | 49 | 18% | 0.175 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -54.8 | 140 | 178.3 | -27.6 | 33.2 | 0 | 0 | 0 | 112.5 | Y89 V170 E202 G206 L207 | Y89-P204 HydrophobicContact CD1-CG 4.07Å; Y89-P204 HydrophobicContact CE1-CG 3.75Å; Y89-P204 HydrophobicContact CE2-CG 4.49Å; V170-P204 HydrophobicContact CG1-CB 3.56Å; V170-P204 HydrophobicContact CG1-CG 4.43Å; E202-P204 VanDerWaalsContact O-CD 3.26Å; E202-P204 WeakPolarHBondContact O-CD 3.23Å; P204-G206 PolarHBondContact O-N 3.31Å; P204-L207 HydrophobicContact CB-CD1 3.83Å; P204-L207 HydrophobicContact CB-CG 4.33Å; P204-L207 HydrophobicContact CG-CD1 3.76Å; P204-L207 PolarHBondContact O-N 3Å |
| 205 | P | 91.1 | Very high | 95.2 | Very high | 129 Ų | 129 | 50.8 Ų | 50.8 | 84% | 0.838 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | 130.1 | 173.5 | -23.1 | 33 | 0 | 0 | 0 | 111.2 | ||
| 206 | G | 86.5 | Confident | 94.9 | Very high | 83 Ų | 83 | 55 Ų | 55 | 86% | 0.856 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 99.9 | -5.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | P204 | P204-G206 PolarHBondContact O-N 3.31Š|
| 207 | L | 88.9 | Confident | 94.6 | Very high | 43 Ų | 43 | 57.5 Ų | 57.5 | 23% | 0.225 | 37% | 0.37 | C | S | . | . | trans | -99.1 | 0 | 169.2 | -62.8 | 178.3 | 0 | 0 | 0 | 112.4 | R87 Y89 L154 V165 V170 V172 V203 P204 | R87-L207 PolarHBondContact NH2-O 2.92Å; R87-L207 PolarHBondContact NH2-OXT 2.84Å; Y89-L207 HydrophobicContact CE2-CD1 4.27Å; L154-L207 HydrophobicContact CD2-CB 4.28Å; V165-L207 HydrophobicContact CG1-CD1 3.69Å; V165-L207 HydrophobicContact CG1-CD2 4.15Å; V165-L207 HydrophobicContact CG2-CD1 4.17Å; V165-L207 HydrophobicContact CG2-CD2 4.46Å; V170-L207 HydrophobicContact CG1-CD1 4.13Å; V170-L207 HydrophobicContact CG1-CG 4.04Å; V170-L207 WeakPolarHBondContact O-CD2 3.41Å; V172-L207 HydrophobicContact CG2-CD2 4Å; V203-L207 HydrophobicContact CG1-CB 4.13Å; P204-L207 HydrophobicContact CB-CD1 3.83Å; P204-L207 HydrophobicContact CB-CG 4.33Å; P204-L207 HydrophobicContact CG-CD1 3.76Å; P204-L207 PolarHBondContact O-N 3Å |
Retrieved 207 of 207 residues in 345 ms
(Link to these results)