| 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 | 69.4 | Low | 83.2 | Confident | 244 Ų | 244 | 130 Ų | 130 | 100% | 1.202 | 69% | 0.694 | S | S | * | * | 0 | 120.1 | 0 | -167 | 177.7 | -168 | 0 | 0 | 106.8 | |||||
| 2 | I | 80.2 | Confident | 83.6 | Confident | 151 Ų | 151 | 125.1 Ų | 125.1 | 77% | 0.774 | 67% | 0.667 | S | S | * | * | trans | -98.1 | 123.4 | -178.2 | -62.2 | 167.5 | 0 | 0 | 0 | 106.9 | V4 | I2-V4 PolarHBondContact O-N 3.03Å; I2-V4 VanDerWaalsContact O-N 3.1Å | ||
| 3 | T | 79.7 | Confident | 84 | Confident | 122 Ų | 122 | 121.1 Ų | 121.1 | 75% | 0.748 | 64% | 0.638 | S | S | * | * | trans | -66.4 | 106.2 | 168.1 | 39.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 4 | V | 89.9 | Confident | 84.3 | Confident | 138 Ų | 138 | 116.4 Ų | 116.4 | 84% | 0.836 | 62% | 0.62 | S | S | * | * | trans | -77.3 | -31.7 | -178.4 | -177.5 | 0 | 0 | 0 | 0 | 111.2 | I2 | I2-V4 PolarHBondContact O-N 3.03Å; I2-V4 VanDerWaalsContact O-N 3.1Å | ||
| 5 | F | 90.3 | Very high | 84.6 | Confident | 167 Ų | 167 | 111.5 Ų | 111.5 | 73% | 0.732 | 60% | 0.602 | S | S | * | * | trans | -153.3 | 140.6 | -174.3 | -175.1 | -104.6 | 0 | 0 | 0 | 111.5 | K7 | F5-K7 HydrophobicContact CE1-CB 3.84Å; F5-K7 HydrophobicContact CZ-CB 4.11Å | ||
| 6 | T | 85.8 | Confident | 84.8 | Confident | 113 Ų | 113 | 107.7 Ų | 107.7 | 69% | 0.693 | 59% | 0.587 | S | S | * | * | trans | -138.6 | 131.7 | 170.7 | 56.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 7 | K | 84.8 | Confident | 84.9 | Confident | 111 Ų | 111 | 105.6 Ų | 105.6 | 48% | 0.483 | 59% | 0.588 | S | S | . | * | trans | -114.5 | 130.4 | 172.5 | -168.6 | 176.7 | -176.9 | 179 | 0 | 109.2 | F5 E308 | F5-K7 HydrophobicContact CE1-CB 3.84Å; F5-K7 HydrophobicContact CZ-CB 4.11Å; K7-E308 PolarHBondContact NZ-O 2.63Å; K7-E308 PolarHBondContact NZ-OXT 3.48Å | ||
| 8 | P | 81.7 | Confident | 84.9 | Confident | 118 Ų | 118 | 107.2 Ų | 107.2 | 77% | 0.766 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 135.2 | 174.3 | 28.4 | -33.2 | 0 | 0 | 0 | 110.1 | ||
| 9 | V | 85.1 | Confident | 85.2 | Confident | 89 Ų | 89 | 102.4 Ų | 102.4 | 54% | 0.539 | 58% | 0.575 | S | S | . | * | P | Polyproline II helix | trans | -97.8 | 123.7 | 173.7 | 177.3 | 0 | 0 | 0 | 0 | 108.7 | L11 V305 | V9-L11 HydrophobicContact CG1-CD2 3.89Å; V9-V305 HydrophobicContact CG1-CG1 3.37Å |
| 10 | Q | 84 | Confident | 85.4 | Confident | 112 Ų | 112 | 103.2 Ų | 103.2 | 52% | 0.523 | 58% | 0.577 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.2 | 125.2 | 175.5 | -67.8 | -168.1 | -0.1 | 0 | 0 | 110.6 | V306 | Q10-V306 PolarHBondContact O-N 3.21Å |
| 11 | L | 84.3 | Confident | 85.7 | Confident | 65 Ų | 65 | 98.3 Ų | 98.3 | 34% | 0.34 | 55% | 0.55 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 116.9 | 178.4 | -56.3 | -178.1 | 0 | 0 | 0 | 109.5 | V9 Y13 V305 | V9-L11 HydrophobicContact CG1-CD2 3.89Å; L11-Y13 HydrophobicContact CB-CE2 3.86Å; L11-V305 HydrophobicContact CD2-CG1 4.43Å; L11-V305 HydrophobicContact CD2-CG2 3.92Å |
| 12 | I | 88.3 | Confident | 86.7 | Confident | 71 Ų | 71 | 90.9 Ų | 90.9 | 36% | 0.364 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 127.9 | 176.7 | -57.7 | 176.5 | 0 | 0 | 0 | 108 | R303 T304 V306 | I12-R303 WeakPolarHBondContact O-CA 3.36Å; I12-T304 WeakPolarHBondContact CB-OG1 3.47Å; I12-T304 PolarHBondContact N-O 3.27Å; I12-T304 PolarHBondContact O-N 3.44Å; I12-V306 HydrophobicContact CD1-CG2 3.47Å; I12-V306 VanDerWaalsContact CD1-CG2 3.47Å; I12-V306 HydrophobicContact CG1-CG2 4.19Å |
| 13 | Y | 88.6 | Confident | 87.2 | Confident | 73 Ų | 73 | 87.8 Ų | 87.8 | 29% | 0.286 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 116.7 | 176.5 | -64.8 | -93.3 | 0 | 0 | 0 | 108.5 | L11 Y294 R303 | L11-Y13 HydrophobicContact CB-CE2 3.86Å; Y13-Y294 VanDerWaalsContact CE1-O 3.27Å; Y13-Y294 WeakPolarHBondContact CE1-O 3.4Å; Y13-R303 HydrophobicContact CD1-CB 4.47Å; Y13-R303 HydrophobicContact CE1-CB 4.4Å; Y13-R303 HydrophobicContact CE1-CG 4.45Å |
| 14 | S | 88 | Confident | 87.9 | Confident | 56 Ų | 56 | 84.1 Ų | 84.1 | 39% | 0.392 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 152.1 | -178.8 | -72.9 | 0 | 0 | 0 | 0 | 110.3 | T301 W302 | S14-T301 WeakPolarHBondContact O-CA 3.06Å; S14-W302 VanDerWaalsContact CB-CD1 3.47Å; S14-W302 PolarHBondContact N-O 3.18Å; S14-W302 PolarHBondContact O-N 2.87Å; S14-W302 PolarHBondContact O-NE1 3.13Å |
| 15 | A | 89.6 | Confident | 88 | Confident | 42 Ų | 42 | 80.3 Ų | 80.3 | 35% | 0.347 | 44% | 0.442 | S | S | . | . | trans | -148.7 | 160.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | A21 T301 | A15-A21 HydrophobicContact CB-CB 3.92Å; A15-T301 HydrophobicContact CB-CG2 4.4Å | ||
| 16 | S | 87.9 | Confident | 88.2 | Confident | 51 Ų | 51 | 77.5 Ų | 77.5 | 36% | 0.357 | 43% | 0.434 | S | S | . | . | trans | -79.3 | 153.9 | 172.3 | 62.8 | 0 | 0 | 0 | 0 | 111.4 | T18 S19 F22 | S16-T18 PolarHBondContact O-N 3.43Å; S16-S19 WeakPolarHBondContact O-CB 3.5Å; S16-S19 PolarHBondContact O-N 2.84Å; S16-S19 VanDerWaalsContact O-N 3.14Å; S16-S19 PolarHBondContact O-OG 3.03Å; S16-F22 WeakPolarHBondContact O-CB 3.24Å | ||
| 17 | A | 85.6 | Confident | 88.7 | Confident | 73 Ų | 73 | 76.4 Ų | 76.4 | 60% | 0.603 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -21.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | F22 | A17-F22 WeakPolarHBondContact O-CD1 3.48Š|
| 18 | T | 84.7 | Confident | 89.1 | Confident | 133 Ų | 133 | 71.2 Ų | 71.2 | 82% | 0.816 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | 6.8 | 179 | 52.9 | 0 | 0 | 0 | 0 | 113.7 | S16 | S16-T18 PolarHBondContact O-N 3.43Š|
| 19 | S | 90.2 | Very high | 89.8 | Confident | 16 Ų | 16 | 69 Ų | 69 | 11% | 0.112 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -86.3 | 155 | -177.2 | 67.8 | 0 | 0 | 0 | 0 | 113.4 | S16 A21 F22 I23 | S16-S19 WeakPolarHBondContact O-CB 3.5Å; S16-S19 PolarHBondContact O-N 2.84Å; S16-S19 VanDerWaalsContact O-N 3.14Å; S16-S19 PolarHBondContact O-OG 3.03Å; S19-A21 PolarHBondContact O-N 3.21Å; S19-F22 PolarHBondContact O-N 2.82Å; S19-F22 VanDerWaalsContact O-N 3.08Å; S19-F22 PolarHBondContact OG-N 3.36Å; S19-I23 PolarHBondContact O-N 3.11Å; S19-I23 VanDerWaalsContact O-N 3.17Å |
| 20 | L | 90.2 | Very high | 90.3 | Very high | 119 Ų | 119 | 66.7 Ų | 66.7 | 62% | 0.623 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -56.2 | -34.4 | 169.4 | -170.3 | 79.9 | 0 | 0 | 0 | 111.8 | F22 I23 F24 L299 | L20-F22 VanDerWaalsContact C-N 3.32Å; L20-F22 PolarHBondContact O-N 3.32Å; L20-I23 PolarHBondContact O-N 3.14Å; L20-F24 WeakPolarHBondContact O-CB 3.4Å; L20-F24 PolarHBondContact O-N 3.08Å; L20-L299 HydrophobicContact CD2-CD2 3.46Å; L20-L299 VanDerWaalsContact CD2-CD2 3.46Å; L20-L299 HydrophobicContact CG-CD2 4.01Å |
| 21 | A | 90.6 | Very high | 90.8 | Very high | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.008 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64.2 | -35.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | A15 S19 H25 Y294 L299 T301 | A15-A21 HydrophobicContact CB-CB 3.92Å; S19-A21 PolarHBondContact O-N 3.21Å; A21-H25 WeakPolarHBondContact O-CB 3.47Å; A21-H25 PolarHBondContact O-N 3.16Å; A21-Y294 HydrophobicContact CB-CE1 4.49Å; A21-Y294 PolarHBondContact O-OH 3.1Å; A21-L299 HydrophobicContact CB-CB 4.08Å; A21-T301 HydrophobicContact CB-CG2 3.94Å |
| 22 | F | 90.6 | Very high | 91.3 | Very high | 87 Ų | 87 | 62.3 Ų | 62.3 | 38% | 0.382 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -72.5 | -40.7 | 175.2 | -175 | -99.8 | 0 | 0 | 0 | 111.9 | S16 A17 S19 L20 F24 H25 L26 | S16-F22 WeakPolarHBondContact O-CB 3.24Å; A17-F22 WeakPolarHBondContact O-CD1 3.48Å; S19-F22 PolarHBondContact O-N 2.82Å; S19-F22 VanDerWaalsContact O-N 3.08Å; S19-F22 PolarHBondContact OG-N 3.36Å; L20-F22 VanDerWaalsContact C-N 3.32Å; L20-F22 PolarHBondContact O-N 3.32Å; F22-F24 PolarHBondContact O-N 3.39Å; F22-H25 WeakPolarHBondContact O-CB 3.23Å; F22-H25 PolarHBondContact O-N 2.93Å; F22-H25 VanDerWaalsContact O-N 3.15Å; F22-L26 PolarHBondContact O-N 3.1Å |
| 23 | I | 92.3 | Very high | 91.7 | Very high | 87 Ų | 87 | 63.1 Ų | 63.1 | 45% | 0.446 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.1 | -46.5 | 173.2 | -65 | 169.9 | 0 | 0 | 0 | 110.5 | S19 L20 H25 L26 I27 | S19-I23 PolarHBondContact O-N 3.11Å; S19-I23 VanDerWaalsContact O-N 3.17Å; L20-I23 PolarHBondContact O-N 3.14Å; I23-H25 VanDerWaalsContact C-N 3.29Å; I23-H25 PolarHBondContact O-N 3.21Å; I23-L26 WeakPolarHBondContact O-CB 3.29Å; I23-L26 PolarHBondContact O-N 3.41Å; I23-I27 HydrophobicContact CG2-CD1 3.86Å; I23-I27 HydrophobicContact CG2-CG1 4.43Å; I23-I27 WeakPolarHBondContact O-CG1 3.47Å; I23-I27 PolarHBondContact O-N 2.87Å |
| 24 | F | 93.8 | Very high | 92 | Very high | 45 Ų | 45 | 64.3 Ų | 64.3 | 20% | 0.197 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -57.5 | -43.8 | 174.3 | 175 | -103.6 | 0 | 0 | 0 | 111.4 | L20 F22 L26 I27 T28 I289 R290 V293 Y294 L299 | L20-F24 WeakPolarHBondContact O-CB 3.4Å; L20-F24 PolarHBondContact O-N 3.08Å; F22-F24 PolarHBondContact O-N 3.39Å; F24-L26 PolarHBondContact O-N 3.29Å; F24-I27 PolarHBondContact O-N 2.78Å; F24-T28 HydrophobicContact CD1-CG2 4.15Å; F24-T28 HydrophobicContact CD2-CG2 4.31Å; F24-T28 HydrophobicContact CE1-CG2 3.73Å; F24-T28 HydrophobicContact CE2-CG2 3.9Å; F24-T28 HydrophobicContact CG-CG2 4.43Å; F24-T28 HydrophobicContact CZ-CG2 3.58Å; F24-T28 VanDerWaalsContact O-CG2 3.27Å; F24-T28 WeakPolarHBondContact O-CG2 3.44Å; F24-T28 PolarHBondContact O-N 2.84Å; F24-I289 HydrophobicContact CZ-CG2 4.28Å; F24-R290 HydrophobicContact CE1-CG 4.17Å; F24-V293 HydrophobicContact CD1-CG1 4.32Å; F24-V293 HydrophobicContact CE1-CB 4.15Å; F24-V293 HydrophobicContact CE1-CG1 3.85Å; F24-V293 HydrophobicContact CE1-CG2 4.31Å; F24-V293 HydrophobicContact CZ-CB 4.19Å; F24-V293 HydrophobicContact CZ-CG1 4.13Å; F24-V293 HydrophobicContact CZ-CG2 3.84Å; F24-Y294 HydrophobicContact CD1-CE2 4.49Å; F24-Y294 HydrophobicContact CE1-CE2 4.3Å; F24-L299 HydrophobicContact CB-CD1 3.54Å; F24-L299 HydrophobicContact CD1-CD1 3.5Å; F24-L299 VanDerWaalsContact CD1-CD1 3.5Å; F24-L299 HydrophobicContact CD2-CD1 4.23Å; F24-L299 HydrophobicContact CE1-CD1 4.25Å; F24-L299 HydrophobicContact CG-CD1 3.48Å; F24-L299 VanDerWaalsContact CG-CD1 3.48Å |
| 25 | H | 92.8 | Very high | 92.2 | Very high | 58 Ų | 58 | 62.7 Ų | 62.7 | 27% | 0.269 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -59 | -46.7 | 176 | -176.5 | 47.2 | 0 | 0 | 0 | 112.3 | A21 F22 I23 I27 T28 I29 | A21-H25 WeakPolarHBondContact O-CB 3.47Å; A21-H25 PolarHBondContact O-N 3.16Å; F22-H25 WeakPolarHBondContact O-CB 3.23Å; F22-H25 PolarHBondContact O-N 2.93Å; F22-H25 VanDerWaalsContact O-N 3.15Å; I23-H25 VanDerWaalsContact C-N 3.29Å; I23-H25 PolarHBondContact O-N 3.21Å; H25-I27 PolarHBondContact O-N 2.82Å; H25-T28 PolarHBondContact O-N 2.86Å; H25-T28 PolarHBondContact O-OG1 2.69Å; H25-I29 WeakPolarHBondContact NE2-CD1 3Å; H25-I29 WeakPolarHBondContact O-CG1 3.49Å; H25-I29 PolarHBondContact O-N 2.98Å |
| 26 | L | 94.2 | Very high | 92.4 | Very high | 108 Ų | 108 | 60.7 Ų | 60.7 | 57% | 0.565 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -58.4 | -46.7 | 175.6 | -170 | 90.5 | 0 | 0 | 0 | 111.5 | F22 I23 F24 T28 I29 A30 | F22-L26 PolarHBondContact O-N 3.1Å; I23-L26 WeakPolarHBondContact O-CB 3.29Å; I23-L26 PolarHBondContact O-N 3.41Å; F24-L26 PolarHBondContact O-N 3.29Å; L26-T28 VanDerWaalsContact C-N 3.31Å; L26-T28 PolarHBondContact O-N 3Å; L26-I29 PolarHBondContact O-N 3.16Å; L26-A30 WeakPolarHBondContact O-CB 3.27Å; L26-A30 PolarHBondContact O-N 2.87Å |
| 27 | I | 95.1 | Very high | 92.5 | Very high | 90 Ų | 90 | 64.9 Ų | 64.9 | 46% | 0.462 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59.5 | -44.1 | 177 | -67.9 | 167.1 | 0 | 0 | 0 | 110.2 | I23 F24 H25 I29 A30 V31 | I23-I27 HydrophobicContact CG2-CD1 3.86Å; I23-I27 HydrophobicContact CG2-CG1 4.43Å; I23-I27 WeakPolarHBondContact O-CG1 3.47Å; I23-I27 PolarHBondContact O-N 2.87Å; F24-I27 PolarHBondContact O-N 2.78Å; H25-I27 PolarHBondContact O-N 2.82Å; I27-I29 VanDerWaalsContact C-N 3.31Å; I27-I29 PolarHBondContact O-N 2.74Å; I27-A30 PolarHBondContact O-N 3.02Å; I27-V31 HydrophobicContact CG2-CG2 4.21Å; I27-V31 VanDerWaalsContact O-CG2 3.3Å; I27-V31 WeakPolarHBondContact O-CG2 3.49Å; I27-V31 PolarHBondContact O-N 2.86Å |
| 28 | T | 94.3 | Very high | 92.7 | Very high | 2 Ų | 2 | 65.5 Ų | 65.5 | 1% | 0.012 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.1 | -39.5 | 179.1 | 62.9 | 0 | 0 | 0 | 0 | 112.6 | F24 H25 L26 I32 M286 R290 | F24-T28 HydrophobicContact CD1-CG2 4.15Å; F24-T28 HydrophobicContact CD2-CG2 4.31Å; F24-T28 HydrophobicContact CE1-CG2 3.73Å; F24-T28 HydrophobicContact CE2-CG2 3.9Å; F24-T28 HydrophobicContact CG-CG2 4.43Å; F24-T28 HydrophobicContact CZ-CG2 3.58Å; F24-T28 VanDerWaalsContact O-CG2 3.27Å; F24-T28 WeakPolarHBondContact O-CG2 3.44Å; F24-T28 PolarHBondContact O-N 2.84Å; H25-T28 PolarHBondContact O-N 2.86Å; H25-T28 PolarHBondContact O-OG1 2.69Å; L26-T28 VanDerWaalsContact C-N 3.31Å; L26-T28 PolarHBondContact O-N 3Å; T28-I32 WeakPolarHBondContact O-CD1 3.23Å; T28-I32 WeakPolarHBondContact O-CG1 3.4Å; T28-I32 PolarHBondContact O-N 3.34Å; T28-M286 HydrophobicContact CG2-CE 3.33Å; T28-R290 HydrophobicContact CG2-CG 4.1Å |
| 29 | I | 94.7 | Very high | 93 | Very high | 72 Ų | 72 | 61.8 Ų | 61.8 | 37% | 0.369 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.9 | -45.6 | 175.3 | -68.1 | 168.6 | 0 | 0 | 0 | 110.3 | H25 L26 I27 V31 I32 I33 | H25-I29 WeakPolarHBondContact NE2-CD1 3Å; H25-I29 WeakPolarHBondContact O-CG1 3.49Å; H25-I29 PolarHBondContact O-N 2.98Å; L26-I29 PolarHBondContact O-N 3.16Å; I27-I29 VanDerWaalsContact C-N 3.31Å; I27-I29 PolarHBondContact O-N 2.74Å; I29-V31 VanDerWaalsContact C-N 3.33Å; I29-V31 PolarHBondContact O-N 2.94Å; I29-I32 WeakPolarHBondContact O-CB 3.42Å; I29-I32 PolarHBondContact O-N 2.87Å; I29-I33 HydrophobicContact CG2-CD1 3.91Å; I29-I33 WeakPolarHBondContact O-CG1 3.12Å; I29-I33 PolarHBondContact O-N 2.78Å; I29-I33 VanDerWaalsContact O-N 3.12Å |
| 30 | A | 96 | Very high | 92.9 | Very high | 39 Ų | 39 | 61.4 Ų | 61.4 | 32% | 0.322 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60.1 | -43.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L26 I27 I33 I34 | L26-A30 WeakPolarHBondContact O-CB 3.27Å; L26-A30 PolarHBondContact O-N 2.87Å; I27-A30 PolarHBondContact O-N 3.02Å; A30-I33 PolarHBondContact O-N 3.41Å; A30-I34 HydrophobicContact CB-CD1 4.29Å; A30-I34 VanDerWaalsContact O-CB 3.32Å; A30-I34 WeakPolarHBondContact O-CB 3.42Å; A30-I34 VanDerWaalsContact O-CG1 3.28Å; A30-I34 WeakPolarHBondContact O-CG1 3.26Å; A30-I34 PolarHBondContact O-N 3.34Å |
| 31 | V | 95.5 | Very high | 92.6 | Very high | 55 Ų | 55 | 62.9 Ų | 62.9 | 33% | 0.333 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.1 | -42.7 | 175.6 | 171 | 0 | 0 | 0 | 0 | 111.3 | I27 I29 I33 A35 M286 | I27-V31 HydrophobicContact CG2-CG2 4.21Å; I27-V31 VanDerWaalsContact O-CG2 3.3Å; I27-V31 WeakPolarHBondContact O-CG2 3.49Å; I27-V31 PolarHBondContact O-N 2.86Å; I29-V31 VanDerWaalsContact C-N 3.33Å; I29-V31 PolarHBondContact O-N 2.94Å; V31-I33 PolarHBondContact O-N 2.83Å; V31-A35 HydrophobicContact CG1-CB 4.14Å; V31-A35 WeakPolarHBondContact O-CB 3.2Å; V31-A35 PolarHBondContact O-N 2.82Å; V31-M286 HydrophobicContact CB-CE 4.34Å; V31-M286 HydrophobicContact CG1-CE 4.33Å; V31-M286 HydrophobicContact CG1-SD 4.17Å |
| 32 | I | 95.4 | Very high | 92.3 | Very high | 30 Ų | 30 | 70 Ų | 70 | 15% | 0.154 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -57.8 | -36.1 | 176.6 | -71.7 | 165.6 | 0 | 0 | 0 | 111.4 | T28 I29 P36 L279 I283 M286 | T28-I32 WeakPolarHBondContact O-CD1 3.23Å; T28-I32 WeakPolarHBondContact O-CG1 3.4Å; T28-I32 PolarHBondContact O-N 3.34Å; I29-I32 WeakPolarHBondContact O-CB 3.42Å; I29-I32 PolarHBondContact O-N 2.87Å; I32-P36 WeakPolarHBondContact O-CD 3.41Å; I32-P36 WeakPolarHBondContact O-CG 3.37Å; I32-L279 HydrophobicContact CG2-CD1 3.69Å; I32-L279 VanDerWaalsContact O-CD1 3.31Å; I32-L279 WeakPolarHBondContact O-CD1 3.45Å; I32-I283 HydrophobicContact CG2-CD1 4.45Å; I32-I283 HydrophobicContact CG2-CG1 3.62Å; I32-M286 HydrophobicContact CD1-CB 3.76Å; I32-M286 HydrophobicContact CD1-CG 4.21Å; I32-M286 HydrophobicContact CG1-CB 3.77Å; I32-M286 HydrophobicContact CG1-CG 3.65Å |
| 33 | I | 94.8 | Very high | 91.6 | Very high | 89 Ų | 89 | 68.7 Ų | 68.7 | 46% | 0.456 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -85 | -45.6 | -177.9 | -63.3 | 169.1 | 0 | 0 | 0 | 111.7 | I29 A30 V31 Y275 | I29-I33 HydrophobicContact CG2-CD1 3.91Å; I29-I33 WeakPolarHBondContact O-CG1 3.12Å; I29-I33 PolarHBondContact O-N 2.78Å; I29-I33 VanDerWaalsContact O-N 3.12Å; A30-I33 PolarHBondContact O-N 3.41Å; V31-I33 PolarHBondContact O-N 2.83Å; I33-Y275 PolarHBondContact O-OH 2.85Å |
| 34 | I | 94.9 | Very high | 90.4 | Very high | 98 Ų | 98 | 67.4 Ų | 67.4 | 50% | 0.503 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -82.9 | -37.4 | -170.9 | -62 | 168.3 | 0 | 0 | 0 | 111.9 | A30 Y37 M38 | A30-I34 HydrophobicContact CB-CD1 4.29Å; A30-I34 VanDerWaalsContact O-CB 3.32Å; A30-I34 WeakPolarHBondContact O-CB 3.42Å; A30-I34 VanDerWaalsContact O-CG1 3.28Å; A30-I34 WeakPolarHBondContact O-CG1 3.26Å; A30-I34 PolarHBondContact O-N 3.34Å; I34-Y37 WeakPolarHBondContact O-CB 2.93Å; I34-Y37 PolarHBondContact O-N 2.99Å; I34-M38 HydrophobicContact CG2-CG 4.01Å; I34-M38 WeakPolarHBondContact O-CG 3.11Å; I34-M38 PolarHBondContact O-N 2.85Å |
| 35 | A | 93.6 | Very high | 89.1 | Confident | 21 Ų | 21 | 69.8 Ų | 69.8 | 17% | 0.174 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -63.7 | -42.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | V31 Y37 M38 V39 F282 | V31-A35 HydrophobicContact CG1-CB 4.14Å; V31-A35 WeakPolarHBondContact O-CB 3.2Å; V31-A35 PolarHBondContact O-N 2.82Å; A35-Y37 VanDerWaalsContact C-N 3.28Å; A35-Y37 PolarHBondContact O-N 2.81Å; A35-M38 PolarHBondContact O-N 3.48Å; A35-V39 WeakPolarHBondContact O-CG2 3.45Å; A35-V39 PolarHBondContact O-N 3.42Å; A35-F282 HydrophobicContact CB-CD1 3.86Å; A35-F282 HydrophobicContact CB-CD2 4.45Å; A35-F282 HydrophobicContact CB-CE1 3.43Å; A35-F282 VanDerWaalsContact CB-CE1 3.43Å; A35-F282 HydrophobicContact CB-CE2 4.08Å; A35-F282 HydrophobicContact CB-CG 4.36Å; A35-F282 HydrophobicContact CB-CZ 3.55Å |
| 36 | P | 93.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -54.8 | -43.9 | 171.6 | -26.3 | 34 | 0 | 0 | 0 | 112.9 | I32 V39 I40 Y275 F278 L279 F282 | I32-P36 WeakPolarHBondContact O-CD 3.41Å; I32-P36 WeakPolarHBondContact O-CG 3.37Å; P36-V39 PolarHBondContact O-N 2.64Å; P36-I40 WeakPolarHBondContact O-CG1 3.34Å; P36-I40 PolarHBondContact O-N 2.82Å; P36-I40 VanDerWaalsContact O-N 3.1Å; P36-Y275 HydrophobicContact CB-CD2 3.83Å; P36-Y275 HydrophobicContact CB-CE2 3.79Å; P36-Y275 HydrophobicContact CG-CE2 4.47Å; P36-F278 HydrophobicContact CB-CB 3.71Å; P36-F278 HydrophobicContact CG-CB 4.33Å; P36-L279 HydrophobicContact CG-CB 4.4Å; P36-L279 HydrophobicContact CG-CD1 4.41Å; P36-F282 HydrophobicContact CB-CD2 4.48Å; P36-F282 HydrophobicContact CG-CB 4.4Å; P36-F282 HydrophobicContact CG-CD2 3.7Å; P36-F282 HydrophobicContact CG-CE2 4.33Å; P36-F282 HydrophobicContact CG-CG 4.26Å |
| 37 | Y | 90 | Very high | 86.1 | Confident | 139 Ų | 139 | 69 Ų | 69 | 55% | 0.545 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.2 | -43.5 | 178.5 | 179.1 | -95.9 | 0 | 0 | 0 | 111.7 | I34 A35 V39 I40 Y41 | I34-Y37 WeakPolarHBondContact O-CB 2.93Å; I34-Y37 PolarHBondContact O-N 2.99Å; A35-Y37 VanDerWaalsContact C-N 3.28Å; A35-Y37 PolarHBondContact O-N 2.81Å; Y37-V39 PolarHBondContact O-N 2.86Å; Y37-I40 PolarHBondContact O-N 2.8Å; Y37-Y41 WeakPolarHBondContact O-CB 3.25Å; Y37-Y41 PolarHBondContact O-N 2.81Å |
| 38 | M | 90.6 | Very high | 84.6 | Confident | 86 Ų | 86 | 71.1 Ų | 71.1 | 42% | 0.424 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62 | -42.8 | 176.4 | -71.4 | -72.3 | -88.1 | 0 | 0 | 111.9 | I34 A35 I40 Y41 F42 | I34-M38 HydrophobicContact CG2-CG 4.01Å; I34-M38 WeakPolarHBondContact O-CG 3.11Å; I34-M38 PolarHBondContact O-N 2.85Å; A35-M38 PolarHBondContact O-N 3.48Å; M38-I40 VanDerWaalsContact C-N 3.31Å; M38-I40 PolarHBondContact O-N 2.59Å; M38-Y41 PolarHBondContact O-N 2.85Å; M38-F42 HydrophobicContact CB-CD2 4.43Å; M38-F42 HydrophobicContact CB-CE2 4.41Å; M38-F42 HydrophobicContact CE-CE2 3.53Å; M38-F42 HydrophobicContact CE-CZ 4.06Å; M38-F42 WeakPolarHBondContact O-CD2 3.12Å; M38-F42 PolarHBondContact O-N 2.89Å; M38-F42 HydrophobicContact SD-CE2 4.04Å |
| 39 | V | 90.3 | Very high | 83.7 | Confident | 56 Ų | 56 | 75.8 Ų | 75.8 | 34% | 0.339 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.4 | -42.9 | 177.6 | 172.4 | 0 | 0 | 0 | 0 | 111 | A35 P36 Y37 G43 F278 F282 | A35-V39 WeakPolarHBondContact O-CG2 3.45Å; A35-V39 PolarHBondContact O-N 3.42Å; P36-V39 PolarHBondContact O-N 2.64Å; Y37-V39 PolarHBondContact O-N 2.86Å; V39-G43 WeakPolarHBondContact O-CA 3.18Å; V39-G43 PolarHBondContact O-N 2.88Å; V39-F278 HydrophobicContact CG1-CD1 4.08Å; V39-F278 HydrophobicContact CG1-CD2 4.35Å; V39-F278 HydrophobicContact CG1-CE1 3.7Å; V39-F278 HydrophobicContact CG1-CE2 4Å; V39-F278 HydrophobicContact CG1-CG 4.4Å; V39-F278 HydrophobicContact CG1-CZ 3.66Å; V39-F282 HydrophobicContact CG2-CE2 4.15Å; V39-F282 HydrophobicContact CG2-CZ 4.16Å |
| 40 | I | 88 | Confident | 83.3 | Confident | 7 Ų | 7 | 75.6 Ų | 75.6 | 4% | 0.036 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -67.5 | -46.4 | 177.8 | -65.7 | 166.5 | 0 | 0 | 0 | 110.8 | P36 Y37 M38 F42 G43 D44 L46 E274 Y275 F278 | P36-I40 WeakPolarHBondContact O-CG1 3.34Å; P36-I40 PolarHBondContact O-N 2.82Å; P36-I40 VanDerWaalsContact O-N 3.1Å; Y37-I40 PolarHBondContact O-N 2.8Å; M38-I40 VanDerWaalsContact C-N 3.31Å; M38-I40 PolarHBondContact O-N 2.59Å; I40-F42 VanDerWaalsContact C-N 3.28Å; I40-F42 PolarHBondContact O-N 2.91Å; I40-G43 PolarHBondContact O-N 2.83Å; I40-D44 PolarHBondContact O-N 2.83Å; I40-L46 HydrophobicContact CG2-CD1 3.73Å; I40-L46 HydrophobicContact CG2-CD2 4.32Å; I40-L46 HydrophobicContact CG2-CG 4.28Å; I40-E274 HydrophobicContact CD1-CB 4.04Å; I40-E274 HydrophobicContact CG1-CB 4.32Å; I40-Y275 VanDerWaalsContact CD1-CA 3.44Å; I40-Y275 HydrophobicContact CD1-CD2 4.32Å; I40-F278 HydrophobicContact CD1-CD2 4.22Å; I40-F278 HydrophobicContact CG1-CD2 3.88Å; I40-F278 HydrophobicContact CG1-CE2 4.08Å |
| 41 | Y | 84.8 | Confident | 82.8 | Confident | 150 Ų | 150 | 76.5 Ų | 76.5 | 59% | 0.588 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -60.8 | -35.8 | -179.1 | -179.4 | -98.7 | 0 | 0 | 0 | 113 | Y37 M38 | Y37-Y41 WeakPolarHBondContact O-CB 3.25Å; Y37-Y41 PolarHBondContact O-N 2.81Å; M38-Y41 PolarHBondContact O-N 2.85Å |
| 42 | F | 84.5 | Confident | 82.6 | Confident | 151 Ų | 151 | 78.1 Ų | 78.1 | 66% | 0.662 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -86.1 | -25 | 175.5 | -70.2 | -59.9 | 0 | 0 | 0 | 114 | M38 I40 | M38-F42 HydrophobicContact CB-CD2 4.43Å; M38-F42 HydrophobicContact CB-CE2 4.41Å; M38-F42 HydrophobicContact CE-CE2 3.53Å; M38-F42 HydrophobicContact CE-CZ 4.06Å; M38-F42 WeakPolarHBondContact O-CD2 3.12Å; M38-F42 PolarHBondContact O-N 2.89Å; M38-F42 HydrophobicContact SD-CE2 4.04Å; I40-F42 VanDerWaalsContact C-N 3.28Å; I40-F42 PolarHBondContact O-N 2.91Å |
| 43 | G | 75.8 | Confident | 82.3 | Confident | 59 Ų | 59 | 77 Ų | 77 | 61% | 0.608 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -85 | -38.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | V39 I40 | V39-G43 WeakPolarHBondContact O-CA 3.18Å; V39-G43 PolarHBondContact O-N 2.88Å; I40-G43 PolarHBondContact O-N 2.83Å |
| 44 | D | 66.9 | Low | 82.1 | Confident | 60 Ų | 60 | 79 Ų | 79 | 32% | 0.321 | 41% | 0.406 | S | S | . | . | trans | -118.3 | 132.5 | -172.3 | -101 | 27.8 | 0 | 0 | 0 | 111.7 | I40 L46 R49 | I40-D44 PolarHBondContact O-N 2.83Å; D44-L46 HydrophobicContact CB-CD2 3.78Å; D44-L46 HydrophobicContact CB-CG 3.99Å; D44-L46 PolarHBondContact O-N 2.91Å; D44-R49 IonicContact OD2-NH1 3.35Å; D44-R49 PolarHBondContact OD2-NH1 3.41Å | ||
| 45 | D | 65.2 | Low | 82 | Confident | 95 Ų | 95 | 74.6 Ų | 74.6 | 51% | 0.508 | 38% | 0.383 | S | S | . | . | trans | -75.6 | 72.4 | 160.3 | -171.1 | -5.9 | 0 | 0 | 0 | 109 | T47 H48 R49 | D45-T47 PolarHBondContact O-N 3.05Å; D45-T47 VanDerWaalsContact O-N 3.1Å; D45-T47 PolarHBondContact OD1-N 3.01Å; D45-T47 PolarHBondContact OD1-OG1 2.91Å; D45-H48 PolarHBondContact O-N 3.5Å; D45-H48 IonicContact OD1-CD2 3.79Å; D45-H48 PolarHBondContact OD1-CD2 2.9Å; D45-H48 VanDerWaalsContact OD1-CD2 3.24Å; D45-H48 IonicContact OD1-CG 3.39Å; D45-H48 PolarHBondContact OD1-N 3.19Å; D45-H48 WeakPolarHBondContact OD2-CB 3.5Å; D45-H48 IonicContact OD2-CD2 3.75Å; D45-H48 PolarHBondContact OD2-CD2 3.24Å; D45-H48 IonicContact OD2-CG 3.24Å; D45-R49 PolarHBondContact O-N 3.09Å | ||
| 46 | L | 62.5 | Low | 81.8 | Confident | 51 Ų | 51 | 75 Ų | 75 | 27% | 0.267 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -25.7 | 179.4 | -68.7 | -179.5 | 0 | 0 | 0 | 112.6 | I40 D44 V271 | I40-L46 HydrophobicContact CG2-CD1 3.73Å; I40-L46 HydrophobicContact CG2-CD2 4.32Å; I40-L46 HydrophobicContact CG2-CG 4.28Å; D44-L46 HydrophobicContact CB-CD2 3.78Å; D44-L46 HydrophobicContact CB-CG 3.99Å; D44-L46 PolarHBondContact O-N 2.91Å; L46-V271 HydrophobicContact CD1-CG2 3.67Å; L46-V271 HydrophobicContact CD2-CG2 3.46Å; L46-V271 VanDerWaalsContact CD2-CG2 3.46Å; L46-V271 HydrophobicContact CG-CG2 4.16Å |
| 47 | T | 62 | Low | 81.6 | Confident | 100 Ų | 100 | 75.1 Ų | 75.1 | 61% | 0.613 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -30.9 | -178 | 31.3 | 0 | 0 | 0 | 0 | 113.2 | D45 | D45-T47 PolarHBondContact O-N 3.05Å; D45-T47 VanDerWaalsContact O-N 3.1Å; D45-T47 PolarHBondContact OD1-N 3.01Å; D45-T47 PolarHBondContact OD1-OG1 2.91Å |
| 48 | H | 63.7 | Low | 81.6 | Confident | 134 Ų | 134 | 71.7 Ų | 71.7 | 62% | 0.62 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -123.2 | 22.7 | -170.3 | -58.9 | -67.9 | 0 | 0 | 0 | 114.8 | D45 V50 | D45-H48 PolarHBondContact O-N 3.5Å; D45-H48 IonicContact OD1-CD2 3.79Å; D45-H48 PolarHBondContact OD1-CD2 2.9Å; D45-H48 VanDerWaalsContact OD1-CD2 3.24Å; D45-H48 IonicContact OD1-CG 3.39Å; D45-H48 PolarHBondContact OD1-N 3.19Å; D45-H48 WeakPolarHBondContact OD2-CB 3.5Å; D45-H48 IonicContact OD2-CD2 3.75Å; D45-H48 PolarHBondContact OD2-CD2 3.24Å; D45-H48 IonicContact OD2-CG 3.24Å; H48-V50 PolarHBondContact O-N 2.8Å |
| 49 | R | 75.9 | Confident | 81.7 | Confident | 99 Ų | 99 | 67.8 Ų | 67.8 | 37% | 0.374 | 35% | 0.354 | S | S | . | . | trans | -66 | 99.3 | 177.8 | -164.8 | 168.7 | -175.1 | 166.1 | -2.4 | 111.3 | D44 D45 P262 E274 | D44-R49 IonicContact OD2-NH1 3.35Å; D44-R49 PolarHBondContact OD2-NH1 3.41Å; D45-R49 PolarHBondContact O-N 3.09Å; R49-P262 WeakPolarHBondContact O-CD 2.99Å; R49-E274 IonicContact NH1-OE1 3.34Å; R49-E274 PolarHBondContact NH1-OE1 3.5Å | ||
| 50 | V | 84.9 | Confident | 81.7 | Confident | 68 Ų | 68 | 70.2 Ų | 70.2 | 41% | 0.412 | 36% | 0.362 | S | S | . | . | trans | -85.1 | 135.3 | 171.2 | 179 | 0 | 0 | 0 | 0 | 109 | H48 P180 I260 | H48-V50 PolarHBondContact O-N 2.8Å; V50-P180 HydrophobicContact CB-CB 4.47Å; V50-P180 HydrophobicContact CG1-CB 3.82Å; V50-P180 HydrophobicContact CG2-CB 3.79Å; V50-P180 HydrophobicContact CG2-CG 3.79Å; V50-I260 WeakPolarHBondContact CA-O 3.4Å | ||
| 51 | I | 86.7 | Confident | 82 | Confident | 58 Ų | 58 | 69.9 Ų | 69.9 | 30% | 0.297 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 148.4 | 173.2 | 65.7 | 173.8 | 0 | 0 | 0 | 110.1 | V53 S259 I260 P262 | I51-V53 HydrophobicContact CD1-CG2 3.95Å; I51-V53 HydrophobicContact CG1-CG2 4.06Å; I51-S259 WeakPolarHBondContact O-CA 3.45Å; I51-I260 HydrophobicContact CD1-CD1 3.95Å; I51-I260 HydrophobicContact CD1-CG1 3.98Å; I51-I260 HydrophobicContact CG1-CD1 3.97Å; I51-I260 HydrophobicContact CG1-CG1 3.42Å; I51-I260 VanDerWaalsContact CG1-CG1 3.42Å; I51-I260 PolarHBondContact N-O 2.64Å; I51-I260 PolarHBondContact O-N 3.46Å; I51-P262 HydrophobicContact CD1-CG 3.89Å; I51-P262 HydrophobicContact CG1-CG 3.94Å; I51-P262 HydrophobicContact CG2-CG 4.11Å |
| 52 | S | 90.2 | Very high | 82.2 | Confident | 89 Ų | 89 | 64.6 Ų | 64.6 | 62% | 0.622 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 123.7 | 173.3 | -60.3 | 0 | 0 | 0 | 0 | 109.4 | Y258 | S52-Y258 CarbonylContact C-O 3.59Å; S52-Y258 WeakPolarHBondContact CA-O 3.35Å |
| 53 | V | 89.3 | Confident | 82.5 | Confident | 7 Ų | 7 | 63.2 Ų | 63.2 | 4% | 0.042 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 130.9 | -177.3 | 177.3 | 0 | 0 | 0 | 0 | 109.4 | I51 E55 Q145 T257 Y258 I260 | I51-V53 HydrophobicContact CD1-CG2 3.95Å; I51-V53 HydrophobicContact CG1-CG2 4.06Å; V53-E55 HydrophobicContact CG1-CB 4.34Å; V53-Q145 HydrophobicContact CG1-CB 4.01Å; V53-Q145 HydrophobicContact CG1-CG 3.79Å; V53-Q145 HydrophobicContact CG2-CB 4.49Å; V53-T257 CarbonylContact O-C 3.53Å; V53-T257 WeakPolarHBondContact O-CA 3.44Å; V53-Y258 PolarHBondContact N-O 2.86Å; V53-Y258 PolarHBondContact O-N 3.19Å; V53-I260 HydrophobicContact CB-CD1 4.39Å; V53-I260 HydrophobicContact CG2-CD1 3.55Å; V53-I260 HydrophobicContact CG2-CG1 3.96Å |
| 54 | K | 92.3 | Very high | 83.2 | Confident | 130 Ų | 130 | 63 Ų | 63 | 57% | 0.565 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 120.2 | 168.9 | -164.8 | -172.9 | -170.4 | -142.8 | 0 | 108.6 | E255 D256 | K54-E255 VanDerWaalsContact CE-OE2 3.23Å; K54-E255 WeakPolarHBondContact CE-OE2 3.13Å; K54-E255 IonicContact NZ-OE2 3.33Å; K54-E255 PolarHBondContact NZ-OE2 3.48Å; K54-D256 WeakPolarHBondContact CA-O 3.07Å |
| 55 | E | 90.9 | Very high | 84.4 | Confident | 6 Ų | 6 | 61.3 Ų | 61.3 | 3% | 0.028 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 148.3 | -178.3 | 179.1 | 166.8 | 169.7 | 0 | 0 | 109.9 | V53 P57 L142 K143 Q144 Q145 D256 Y258 | V53-E55 HydrophobicContact CG1-CB 4.34Å; E55-P57 WeakPolarHBondContact O-CD 3.42Å; E55-L142 HydrophobicContact CB-CD2 4.31Å; E55-L142 HydrophobicContact CG-CD2 3.96Å; E55-K143 PolarHBondContact OE1-N 2.82Å; E55-Q144 VanDerWaalsContact CD-CB 3.48Å; E55-Q144 HydrophobicContact CG-CB 4.09Å; E55-Q144 HydrophobicContact CG-CG 3.95Å; E55-Q144 WeakPolarHBondContact OE1-CB 3.47Å; E55-Q144 WeakPolarHBondContact OE1-CG 3.36Å; E55-Q144 PolarHBondContact OE1-N 3.45Å; E55-Q145 PolarHBondContact OE2-N 3.01Å; E55-D256 PolarHBondContact N-O 2.97Å; E55-D256 VanDerWaalsContact N-O 3.12Å; E55-D256 PolarHBondContact O-N 2.9Å; E55-Y258 HydrophobicContact CB-CD2 4.2Å; E55-Y258 HydrophobicContact CB-CE2 4.19Å; E55-Y258 WeakPolarHBondContact O-CE2 3.14Å |
| 56 | H | 89.9 | Confident | 85.7 | Confident | 31 Ų | 31 | 56.8 Ų | 56.8 | 14% | 0.144 | 28% | 0.283 | C | S | . | . | trans | -85.4 | 113.7 | 166.4 | -160.3 | -74.2 | 0 | 0 | 0 | 108.6 | Y253 E255 | H56-Y253 PolarHBondContact CE1-O 3.43Å; H56-Y253 VanDerWaalsContact CE1-O 3.32Å; H56-Y253 PolarHBondContact NE2-O 3.01Å; H56-E255 HydrophobicContact CB-CG 3.96Å | ||
| 57 | P | 90.2 | Very high | 87.2 | Confident | 2 Ų | 2 | 54.4 Ų | 54.4 | 1% | 0.013 | 27% | 0.271 | C | S | . | . | trans | -68.9 | 149.8 | 179.4 | 31.8 | -36.9 | 0 | 0 | 0 | 110.5 | E55 I59 F140 L142 A254 Y258 | E55-P57 WeakPolarHBondContact O-CD 3.42Å; P57-I59 HydrophobicContact CB-CD1 4.17Å; P57-I59 HydrophobicContact CB-CG1 3.87Å; P57-I59 HydrophobicContact CG-CD1 3.71Å; P57-I59 HydrophobicContact CG-CG1 3.86Å; P57-F140 HydrophobicContact CB-CD2 4.04Å; P57-F140 HydrophobicContact CB-CE2 3.3Å; P57-F140 HydrophobicContact CB-CZ 3.76Å; P57-F140 HydrophobicContact CG-CE2 4Å; P57-L142 HydrophobicContact CB-CD2 4.12Å; P57-A254 WeakPolarHBondContact CD-O 3.1Å; P57-Y258 WeakPolarHBondContact CD-OH 3.2Å; P57-Y258 VanDerWaalsContact CG-OH 3.24Å; P57-Y258 WeakPolarHBondContact CG-OH 3.22Å | ||
| 58 | L | 90.1 | Very high | 88.7 | Confident | 67 Ų | 67 | 49.6 Ų | 49.6 | 35% | 0.351 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 105 | 165.1 | 179.1 | 65.7 | 0 | 0 | 0 | 107.3 | L111 Q141 | L58-L111 HydrophobicContact CD1-CD2 4.46Å; L58-Q141 HydrophobicContact CB-CB 4.21Å; L58-Q141 PolarHBondContact N-O 2.73Å; L58-Q141 PolarHBondContact O-N 3.44Å |
| 59 | I | 91.5 | Very high | 90.1 | Very high | 3 Ų | 3 | 43.2 Ų | 43.2 | 2% | 0.015 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 131.9 | 179.1 | -53.4 | -176 | 0 | 0 | 0 | 107.9 | P57 F138 D139 F140 L173 Y253 | P57-I59 HydrophobicContact CB-CD1 4.17Å; P57-I59 HydrophobicContact CB-CG1 3.87Å; P57-I59 HydrophobicContact CG-CD1 3.71Å; P57-I59 HydrophobicContact CG-CG1 3.86Å; I59-F138 HydrophobicContact CG2-CB 3.9Å; I59-F138 HydrophobicContact CG2-CD1 3.78Å; I59-F138 HydrophobicContact CG2-CG 4.11Å; I59-D139 WeakPolarHBondContact CA-O 3.47Å; I59-F140 HydrophobicContact CD1-CD2 4.01Å; I59-F140 HydrophobicContact CD1-CE2 4.27Å; I59-F140 HydrophobicContact CG1-CD2 3.87Å; I59-F140 HydrophobicContact CG1-CE2 4.35Å; I59-L173 HydrophobicContact CD1-CD2 3.85Å; I59-L173 HydrophobicContact CD1-CG 4.33Å; I59-L173 HydrophobicContact CG2-CD2 4.06Å; I59-Y253 HydrophobicContact CB-CD1 4.19Å; I59-Y253 HydrophobicContact CB-CD2 3.82Å; I59-Y253 HydrophobicContact CB-CE1 4.29Å; I59-Y253 HydrophobicContact CB-CE2 3.89Å; I59-Y253 HydrophobicContact CB-CG 3.98Å; I59-Y253 HydrophobicContact CD1-CD1 4.05Å; I59-Y253 HydrophobicContact CD1-CG 4.19Å; I59-Y253 HydrophobicContact CG1-CG 4.47Å; I59-Y253 HydrophobicContact CG2-CD1 4.16Å; I59-Y253 HydrophobicContact CG2-CD2 4.33Å; I59-Y253 HydrophobicContact CG2-CE1 3.82Å; I59-Y253 HydrophobicContact CG2-CE2 3.97Å; I59-Y253 HydrophobicContact CG2-CG 4.42Å; I59-Y253 WeakPolarHBondContact O-CE2 3.2Å |
| 60 | Q | 91.4 | Very high | 91 | Very high | 108 Ų | 108 | 40.6 Ų | 40.6 | 51% | 0.505 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 134.9 | 172.9 | -176.1 | 177.1 | -27.1 | 0 | 0 | 109 | N62 F138 D139 | Q60-N62 PolarHBondContact O-OD1 2.83Å; Q60-F138 CarbonylContact O-C 3.56Å; Q60-F138 VanDerWaalsContact O-CA 3.29Å; Q60-F138 WeakPolarHBondContact O-CA 3.38Å; Q60-F138 WeakPolarHBondContact O-CB 3.48Å; Q60-D139 PolarHBondContact N-O 3.25Å; Q60-D139 PolarHBondContact O-N 3.5Å |
| 61 | F | 92.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 131 | 174.6 | -177.1 | -120.5 | 0 | 0 | 0 | 111.5 | Y63 Y65 I101 E103 L115 L136 L137 F138 | F61-Y63 VanDerWaalsContact C-N 3.28Å; F61-Y63 HydrophobicContact CD1-CD1 4.06Å; F61-Y63 HydrophobicContact CD1-CD2 4.49Å; F61-Y63 HydrophobicContact CD1-CE1 4.32Å; F61-Y63 HydrophobicContact CD1-CG 4.16Å; F61-Y63 HydrophobicContact CE1-CD1 4.07Å; F61-Y63 HydrophobicContact CE1-CG 4.26Å; F61-Y63 WeakPolarHBondContact O-CD2 3.36Å; F61-Y63 WeakPolarHBondContact O-CE2 3.21Å; F61-Y63 PolarHBondContact O-N 2.84Å; F61-Y65 HydrophobicContact CZ-CD1 4.12Å; F61-I101 HydrophobicContact CD1-CG2 3.76Å; F61-I101 HydrophobicContact CE1-CD1 3.83Å; F61-I101 HydrophobicContact CE1-CG2 3.76Å; F61-E103 WeakPolarHBondContact CB-OE1 3.25Å; F61-E103 PolarHBondContact N-OE1 3.41Å; F61-L115 HydrophobicContact CB-CD1 3.91Å; F61-L115 HydrophobicContact CD1-CD1 4.08Å; F61-L115 HydrophobicContact CD2-CD2 4.37Å; F61-L115 HydrophobicContact CG-CD1 4Å; F61-L115 HydrophobicContact CG-CD2 4.42Å; F61-L136 HydrophobicContact CE2-CB 4.12Å; F61-L136 HydrophobicContact CE2-CD2 3.92Å; F61-L136 HydrophobicContact CZ-CD2 4.05Å; F61-L137 VanDerWaalsContact CD2-O 3.23Å; F61-L137 WeakPolarHBondContact CD2-O 3.3Å; F61-L137 WeakPolarHBondContact CE2-O 3.48Å; F61-F138 HydrophobicContact CB-CD1 3.98Å; F61-F138 HydrophobicContact CB-CE1 3.97Å; F61-F138 AromaticContact CD2-CD1 3.8Å; F61-F138 HydrophobicContact CD2-CD1 3.8Å; F61-F138 AromaticContact CD2-CE1 3.49Å; F61-F138 HydrophobicContact CD2-CE1 3.49Å; F61-F138 VanDerWaalsContact CD2-CE1 3.49Å; F61-F138 HydrophobicContact CD2-CE2 4.47Å; F61-F138 HydrophobicContact CD2-CG 4.4Å; F61-F138 AromaticContact CD2-CZ 3.84Å; F61-F138 HydrophobicContact CD2-CZ 3.84Å; F61-F138 HydrophobicContact CE2-CE1 4.41Å; F61-F138 HydrophobicContact CE2-CZ 4.34Å; F61-F138 HydrophobicContact CG-CD1 4.38Å; F61-F138 HydrophobicContact CG-CE1 4.12Å |
| 62 | N | 89.7 | Confident | 91.4 | Very high | 39 Ų | 39 | 41.5 Ų | 41.5 | 21% | 0.209 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | -0.2 | -173.6 | -67.9 | 13.3 | 0 | 0 | 0 | 113.3 | Q60 D64 L137 D139 | Q60-N62 PolarHBondContact O-OD1 2.83Å; N62-D64 HydrophobicContact CB-CB 4.45Å; N62-D64 PolarHBondContact O-N 2.85Å; N62-D64 VanDerWaalsContact O-N 3.17Å; N62-L137 PolarHBondContact N-O 3.49Å; N62-L137 VanDerWaalsContact N-O 3.15Å; N62-D139 VanDerWaalsContact CG-CG 3.47Å; N62-D139 PolarHBondContact ND2-OD1 2.98Å; N62-D139 WeakPolarHBondContact OD1-CB 3.25Å; N62-D139 PolarHBondContact OD1-N 3.17Å; N62-D139 PolarHBondContact OD1-OD1 2.76Å; N62-D139 PolarHBondContact OD1-OD2 2.88Å |
| 63 | Y | 91.5 | Very high | 91.2 | Very high | 121 Ų | 121 | 40.2 Ų | 40.2 | 48% | 0.475 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 62.9 | 13.3 | -171.7 | -58.3 | -90.5 | 0 | 0 | 0 | 114.4 | F61 Y65 S82 I101 | F61-Y63 VanDerWaalsContact C-N 3.28Å; F61-Y63 HydrophobicContact CD1-CD1 4.06Å; F61-Y63 HydrophobicContact CD1-CD2 4.49Å; F61-Y63 HydrophobicContact CD1-CE1 4.32Å; F61-Y63 HydrophobicContact CD1-CG 4.16Å; F61-Y63 HydrophobicContact CE1-CD1 4.07Å; F61-Y63 HydrophobicContact CE1-CG 4.26Å; F61-Y63 WeakPolarHBondContact O-CD2 3.36Å; F61-Y63 WeakPolarHBondContact O-CE2 3.21Å; F61-Y63 PolarHBondContact O-N 2.84Å; Y63-Y65 WeakPolarHBondContact O-CD1 3.48Å; Y63-S82 WeakPolarHBondContact O-CB 3.4Å; Y63-S82 PolarHBondContact O-OG 2.81Å; Y63-I101 HydrophobicContact CD1-CD1 4.34Å; Y63-I101 HydrophobicContact CD1-CG2 4.49Å; Y63-I101 HydrophobicContact CE1-CB 4.38Å; Y63-I101 HydrophobicContact CE1-CG2 4.13Å |
| 64 | D | 89.8 | Confident | 90.7 | Very high | 55 Ų | 55 | 44.5 Ų | 44.5 | 29% | 0.294 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 111.1 | 175 | -84.3 | -12.8 | 0 | 0 | 0 | 110.7 | N62 S82 L137 | N62-D64 HydrophobicContact CB-CB 4.45Å; N62-D64 PolarHBondContact O-N 2.85Å; N62-D64 VanDerWaalsContact O-N 3.17Å; D64-S82 WeakPolarHBondContact CA-OG 3.37Å; D64-L137 HydrophobicContact CB-CB 3.82Å; D64-L137 HydrophobicContact CB-CD1 3.6Å; D64-L137 HydrophobicContact CB-CG 4.18Å; D64-L137 PolarHBondContact O-N 2.86Å |
| 65 | Y | 92 | Very high | 90.3 | Very high | 24 Ų | 24 | 43.3 Ų | 43.3 | 9% | 0.094 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 155.5 | -178.7 | 64.9 | -87.6 | 0 | 0 | 0 | 112.7 | F61 Y63 I67 W80 S81 S82 V99 I101 F117 R135 | F61-Y65 HydrophobicContact CZ-CD1 4.12Å; Y63-Y65 WeakPolarHBondContact O-CD1 3.48Å; Y65-I67 HydrophobicContact CD2-CD1 4.41Å; Y65-I67 HydrophobicContact CD2-CG1 4.5Å; Y65-W80 AromaticContact CE2-CD1 3.85Å; Y65-W80 AromaticContact CE2-NE1 3.89Å; Y65-S81 VanDerWaalsContact O-CA 3.3Å; Y65-S81 WeakPolarHBondContact O-CA 3.46Å; Y65-S81 WeakPolarHBondContact O-CB 3.18Å; Y65-S82 PolarHBondContact N-OG 2.84Å; Y65-S82 VanDerWaalsContact N-OG 3.12Å; Y65-S82 PolarHBondContact O-N 2.8Å; Y65-S82 PolarHBondContact O-OG 2.86Å; Y65-V99 HydrophobicContact CE2-CG2 4.47Å; Y65-I101 HydrophobicContact CD1-CD1 4.18Å; Y65-I101 HydrophobicContact CE1-CD1 3.76Å; Y65-F117 HydrophobicContact CD1-CE2 4.09Å; Y65-F117 HydrophobicContact CD2-CE2 4.01Å; Y65-F117 AromaticContact CD2-CZ 3.89Å; Y65-F117 HydrophobicContact CD2-CZ 3.89Å; Y65-F117 HydrophobicContact CE1-CE2 4.36Å; Y65-F117 HydrophobicContact CE2-CE2 4.28Å; Y65-F117 HydrophobicContact CE2-CZ 4.14Å; Y65-F117 AromaticContact CG-CE2 3.91Å; Y65-F117 HydrophobicContact CG-CE2 3.91Å; Y65-F117 HydrophobicContact CG-CZ 4.24Å; Y65-R135 WeakPolarHBondContact CA-O 3.36Å; Y65-R135 WeakPolarHBondContact CB-O 3.39Å |
| 66 | A | 92.2 | Very high | 90.3 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.008 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 138.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110 | F79 W80 W86 I134 R135 | A66-F79 HydrophobicContact CB-CE2 4.44Å; A66-W80 WeakPolarHBondContact CA-O 3Å; A66-W86 HydrophobicContact CB-CE3 4.24Å; A66-W86 HydrophobicContact CB-CZ3 3.98Å; A66-I134 CarbonylContact O-C 3.56Å; A66-I134 WeakPolarHBondContact O-CA 3.21Å; A66-R135 PolarHBondContact N-O 3.23Å; A66-R135 VanDerWaalsContact N-O 3.11Å; A66-R135 PolarHBondContact O-N 2.86Å |
| 67 | I | 93.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 134.3 | -178.2 | -58.1 | 168.5 | 0 | 0 | 0 | 108.6 | Y65 L69 W80 F117 A119 F121 K133 I134 | Y65-I67 HydrophobicContact CD2-CD1 4.41Å; Y65-I67 HydrophobicContact CD2-CG1 4.5Å; I67-L69 HydrophobicContact CG2-CD2 4.12Å; I67-L69 HydrophobicContact CG2-CG 4.43Å; I67-W80 PolarHBondContact N-O 2.9Å; I67-W80 PolarHBondContact O-N 3.06Å; I67-F117 HydrophobicContact CD1-CE1 3.91Å; I67-F117 HydrophobicContact CD1-CZ 3.83Å; I67-A119 HydrophobicContact CD1-CB 3.89Å; I67-F121 HydrophobicContact CB-CE2 4.35Å; I67-F121 HydrophobicContact CB-CZ 3.82Å; I67-F121 HydrophobicContact CD1-CE2 3.88Å; I67-F121 HydrophobicContact CD1-CZ 3.87Å; I67-F121 HydrophobicContact CG1-CZ 4.45Å; I67-F121 HydrophobicContact CG2-CE2 3.8Å; I67-F121 HydrophobicContact CG2-CZ 3.62Å; I67-K133 CarbonylContact C-O 3.58Å; I67-K133 WeakPolarHBondContact CA-O 3.38Å; I67-I134 HydrophobicContact CD1-CD1 3.93Å; I67-I134 HydrophobicContact CG1-CB 4.24Å; I67-I134 HydrophobicContact CG1-CD1 3.63Å; I67-I134 HydrophobicContact CG1-CG1 3.68Å |
| 68 | I | 93.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 128.2 | 171.4 | -51.1 | -153.1 | 0 | 0 | 0 | 109.3 | Y70 Y77 Y78 F79 A132 K133 F207 | I68-Y70 HydrophobicContact CB-CE2 4.18Å; I68-Y70 HydrophobicContact CG2-CD1 4.43Å; I68-Y70 HydrophobicContact CG2-CD2 4.23Å; I68-Y70 HydrophobicContact CG2-CE1 3.97Å; I68-Y70 HydrophobicContact CG2-CE2 3.74Å; I68-Y77 HydrophobicContact CG2-CD2 4.06Å; I68-Y77 HydrophobicContact CG2-CG 4.35Å; I68-Y78 WeakPolarHBondContact CA-O 3.33Å; I68-F79 HydrophobicContact CD1-CD2 3.59Å; I68-F79 HydrophobicContact CD1-CE2 4Å; I68-F79 HydrophobicContact CG1-CD2 3.67Å; I68-F79 HydrophobicContact CG1-CE2 4.13Å; I68-A132 CarbonylContact O-C 3.58Å; I68-A132 WeakPolarHBondContact O-CA 3.25Å; I68-K133 PolarHBondContact N-O 3.17Å; I68-K133 PolarHBondContact O-N 3.02Å; I68-F207 HydrophobicContact CB-CE1 4.12Å; I68-F207 HydrophobicContact CD1-CD1 3.26Å; I68-F207 HydrophobicContact CD1-CE1 3.06Å; I68-F207 HydrophobicContact CD1-CG 4.41Å; I68-F207 HydrophobicContact CD1-CZ 4.04Å; I68-F207 HydrophobicContact CG1-CD1 4.04Å; I68-F207 HydrophobicContact CG1-CE1 3.29Å; I68-F207 HydrophobicContact CG1-CZ 3.87Å |
| 69 | L | 94.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 129 | 171.4 | -52.9 | 179 | 0 | 0 | 0 | 108.5 | I67 Y77 Y78 F121 M123 I129 A132 F245 | I67-L69 HydrophobicContact CG2-CD2 4.12Å; I67-L69 HydrophobicContact CG2-CG 4.43Å; L69-Y77 CarbonylContact O-C 3.23Å; L69-Y77 WeakPolarHBondContact O-CA 3.49Å; L69-Y77 WeakPolarHBondContact O-CB 3.4Å; L69-Y78 HydrophobicContact CB-CD2 4.23Å; L69-Y78 PolarHBondContact N-O 2.82Å; L69-Y78 PolarHBondContact O-N 2.84Å; L69-F121 HydrophobicContact CD1-CB 4.04Å; L69-F121 HydrophobicContact CD1-CD1 4.05Å; L69-F121 HydrophobicContact CD1-CD2 3.86Å; L69-F121 HydrophobicContact CD1-CE2 4.35Å; L69-F121 HydrophobicContact CD1-CG 3.7Å; L69-M123 HydrophobicContact CD1-CE 3.63Å; L69-I129 HydrophobicContact CB-CD1 3.99Å; L69-I129 HydrophobicContact CB-CG1 4.48Å; L69-I129 HydrophobicContact CB-CG2 4.01Å; L69-I129 HydrophobicContact CD2-CG2 4.44Å; L69-A132 HydrophobicContact CD2-CB 3.74Å; L69-F245 HydrophobicContact CD1-CB 4.3Å; L69-F245 HydrophobicContact CD1-CD1 3.66Å; L69-F245 HydrophobicContact CD1-CE1 4.29Å; L69-F245 HydrophobicContact CD1-CG 4.15Å; L69-F245 HydrophobicContact CD2-CD1 3.73Å; L69-F245 HydrophobicContact CD2-CE1 3.47Å; L69-F245 VanDerWaalsContact CD2-CE1 3.47Å; L69-F245 HydrophobicContact CD2-CZ 4.29Å; L69-F245 HydrophobicContact CG-CD1 4.35Å |
| 70 | Y | 93.6 | Very high | 90.8 | Very high | 44 Ų | 44 | 45.1 Ų | 45.1 | 17% | 0.173 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 131.2 | -180 | -63.4 | -85.5 | 0 | 0 | 0 | 110.4 | I68 I129 Y130 A131 K133 | I68-Y70 HydrophobicContact CB-CE2 4.18Å; I68-Y70 HydrophobicContact CG2-CD1 4.43Å; I68-Y70 HydrophobicContact CG2-CD2 4.23Å; I68-Y70 HydrophobicContact CG2-CE1 3.97Å; I68-Y70 HydrophobicContact CG2-CE2 3.74Å; Y70-I129 CarbonylContact O-C 3.51Å; Y70-I129 WeakPolarHBondContact O-CA 3.49Å; Y70-Y130 PolarHBondContact O-N 2.76Å; Y70-A131 HydrophobicContact CD2-CB 4.02Å; Y70-A131 HydrophobicContact CG-CB 4.38Å; Y70-A131 PolarHBondContact N-O 3.15Å; Y70-A131 PolarHBondContact O-N 2.89Å; Y70-K133 HydrophobicContact CE2-CB 4.35Å; Y70-K133 HydrophobicContact CE2-CD 3.83Å; Y70-K133 HydrophobicContact CE2-CG 3.91Å |
| 71 | G | 93 | Very high | 90.8 | Very high | 7 Ų | 7 | 40 Ų | 40 | 7% | 0.072 | 21% | 0.209 | C | C | . | . | trans | -83.4 | -152.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q76 R128 Y130 | G71-Q76 WeakPolarHBondContact CA-O 3.43Å; G71-Q76 PolarHBondContact N-O 3.11Å; G71-R128 VanDerWaalsContact CA-O 3.23Å; G71-R128 WeakPolarHBondContact CA-O 3.37Å; G71-Y130 WeakPolarHBondContact O-CD2 3.11Å | ||
| 72 | Q | 87.7 | Confident | 90.7 | Very high | 137 Ų | 137 | 42 Ų | 42 | 64% | 0.64 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -74.1 | -34 | -176.7 | -175 | 171.8 | 4 | 0 | 0 | 112.8 | Y130 | Q72-Y130 HydrophobicContact CB-CD2 4.43Å; Q72-Y130 HydrophobicContact CB-CE2 3.9Å; Q72-Y130 HydrophobicContact CG-CE2 4.31Å |
| 73 | S | 86.6 | Confident | 90.6 | Very high | 62 Ų | 62 | 41 Ų | 41 | 43% | 0.434 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -109.1 | 152.4 | 179.9 | -61.2 | 0 | 0 | 0 | 0 | 110.2 | D75 Q76 | S73-D75 WeakPolarHBondContact CB-OD1 3.33Å; S73-D75 PolarHBondContact O-N 3.34Å; S73-D75 VanDerWaalsContact O-N 3.16Å; S73-Q76 PolarHBondContact O-N 3.49Å |
| 74 | A | 78.4 | Confident | 90.4 | Very high | 97 Ų | 97 | 41.1 Ų | 41.1 | 80% | 0.802 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62 | -23.4 | 180 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 75 | D | 84.4 | Confident | 90.1 | Very high | 105 Ų | 105 | 42.8 Ų | 42.8 | 56% | 0.561 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -11.2 | 175.8 | 69.2 | -27 | 0 | 0 | 0 | 113.3 | S73 Y77 R93 | S73-D75 WeakPolarHBondContact CB-OD1 3.33Å; S73-D75 PolarHBondContact O-N 3.34Å; S73-D75 VanDerWaalsContact O-N 3.16Å; D75-Y77 PolarHBondContact O-N 3.43Å; D75-R93 PolarHBondContact O-NH1 3.27Å; D75-R93 PolarHBondContact O-NH2 3.07Å |
| 76 | Q | 89.5 | Confident | 89.6 | Confident | 58 Ų | 58 | 42.7 Ų | 42.7 | 27% | 0.271 | 23% | 0.233 | S | C | . | . | trans | -93.1 | 98.5 | 175.9 | -174 | -175.5 | 7.6 | 0 | 0 | 108.2 | G71 S73 Y78 | G71-Q76 WeakPolarHBondContact CA-O 3.43Å; G71-Q76 PolarHBondContact N-O 3.11Å; S73-Q76 PolarHBondContact O-N 3.49Å; Q76-Y78 HydrophobicContact CG-CE2 4.47Å; Q76-Y78 PolarHBondContact NE2-OH 3.29Å | ||
| 77 | Y | 92.2 | Very high | 89.4 | Confident | 19 Ų | 19 | 43.2 Ų | 43.2 | 8% | 0.075 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 154.9 | 173.3 | 66.1 | -90.7 | 0 | 0 | 0 | 111.3 | I68 L69 D75 E90 R93 Q208 | I68-Y77 HydrophobicContact CG2-CD2 4.06Å; I68-Y77 HydrophobicContact CG2-CG 4.35Å; L69-Y77 CarbonylContact O-C 3.23Å; L69-Y77 WeakPolarHBondContact O-CA 3.49Å; L69-Y77 WeakPolarHBondContact O-CB 3.4Å; D75-Y77 PolarHBondContact O-N 3.43Å; Y77-E90 WeakPolarHBondContact CE2-OE2 3.27Å; Y77-E90 PolarHBondContact OH-OE1 3.45Å; Y77-E90 PolarHBondContact OH-OE2 2.88Å; Y77-R93 HydrophobicContact CD2-CB 4.46Å; Y77-R93 VanDerWaalsContact CE1-CD 3.44Å; Y77-R93 HydrophobicContact CE2-CB 4.13Å; Y77-R93 HydrophobicContact CE2-CG 4.34Å; Y77-R93 WeakPolarHBondContact OH-CD 3.37Å; Y77-R93 PolarHBondContact OH-NE 2.82Å; Y77-Q208 PolarHBondContact OH-NE2 3.4Å |
| 78 | Y | 93.2 | Very high | 89 | Confident | 21 Ų | 21 | 49.6 Ų | 49.6 | 8% | 0.082 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 129.1 | 179.2 | -51.6 | -78.5 | 0 | 0 | 0 | 108.7 | I68 L69 Q76 R93 R95 E127 I129 | I68-Y78 WeakPolarHBondContact CA-O 3.33Å; L69-Y78 HydrophobicContact CB-CD2 4.23Å; L69-Y78 PolarHBondContact N-O 2.82Å; L69-Y78 PolarHBondContact O-N 2.84Å; Q76-Y78 HydrophobicContact CG-CE2 4.47Å; Q76-Y78 PolarHBondContact NE2-OH 3.29Å; Y78-R93 WeakPolarHBondContact CA-O 3.37Å; Y78-R95 HydrophobicContact CD1-CB 4.25Å; Y78-R95 HydrophobicContact CG-CB 4.48Å; Y78-E127 WeakPolarHBondContact CE1-OE1 3.34Å; Y78-E127 VanDerWaalsContact CZ-CD 3.49Å; Y78-E127 WeakPolarHBondContact OH-CG 3.47Å; Y78-E127 PolarHBondContact OH-OE1 3.21Å; Y78-I129 HydrophobicContact CD2-CD1 3.64Å; Y78-I129 HydrophobicContact CE2-CD1 3.6Å |
| 79 | F | 92.7 | Very high | 88.5 | Confident | 3 Ų | 3 | 55.2 Ų | 55.2 | 1% | 0.013 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 141.1 | -172.9 | -179.1 | -99.2 | 0 | 0 | 0 | 111.2 | A66 I68 W86 N87 E90 R93 L94 R95 L204 | A66-F79 HydrophobicContact CB-CE2 4.44Å; I68-F79 HydrophobicContact CD1-CD2 3.59Å; I68-F79 HydrophobicContact CD1-CE2 4Å; I68-F79 HydrophobicContact CG1-CD2 3.67Å; I68-F79 HydrophobicContact CG1-CE2 4.13Å; F79-W86 HydrophobicContact CE1-CB 4.16Å; F79-W86 HydrophobicContact CZ-CB 4.08Å; F79-N87 WeakPolarHBondContact CE1-OD1 3.5Å; F79-E90 HydrophobicContact CB-CB 4.33Å; F79-E90 HydrophobicContact CD1-CB 3.72Å; F79-E90 HydrophobicContact CD1-CG 4.12Å; F79-E90 HydrophobicContact CE1-CB 4.32Å; F79-E90 HydrophobicContact CE1-CG 4.44Å; F79-E90 HydrophobicContact CG-CB 4.12Å; F79-E90 HydrophobicContact CG-CG 4.28Å; F79-R93 PolarHBondContact N-O 3.1Å; F79-L94 HydrophobicContact CD1-CD1 4.46Å; F79-L94 WeakPolarHBondContact O-CA 3.46Å; F79-R95 PolarHBondContact O-N 3.31Å; F79-L204 HydrophobicContact CZ-CD1 4.46Å |
| 80 | W | 94.5 | Very high | 88 | Confident | 47 Ų | 47 | 56.5 Ų | 56.5 | 18% | 0.178 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 141.9 | 163.8 | 179.2 | -107.6 | 0 | 0 | 0 | 110.7 | Y65 A66 I67 L94 I96 P97 F121 | Y65-W80 AromaticContact CE2-CD1 3.85Å; Y65-W80 AromaticContact CE2-NE1 3.89Å; A66-W80 WeakPolarHBondContact CA-O 3Å; I67-W80 PolarHBondContact N-O 2.9Å; I67-W80 PolarHBondContact O-N 3.06Å; W80-L94 HydrophobicContact CE3-CD1 3.61Å; W80-L94 HydrophobicContact CE3-CD2 4.49Å; W80-L94 HydrophobicContact CE3-CG 4.05Å; W80-L94 HydrophobicContact CZ3-CD1 3.96Å; W80-L94 HydrophobicContact CZ3-CD2 4.15Å; W80-L94 HydrophobicContact CZ3-CG 4.22Å; W80-I96 HydrophobicContact CE3-CB 4.37Å; W80-I96 HydrophobicContact CE3-CG1 4.08Å; W80-I96 HydrophobicContact CE3-CG2 4.39Å; W80-I96 HydrophobicContact CH2-CG1 4.45Å; W80-I96 HydrophobicContact CH2-CG2 4Å; W80-I96 HydrophobicContact CZ2-CG2 4.35Å; W80-I96 HydrophobicContact CZ3-CB 4.25Å; W80-I96 HydrophobicContact CZ3-CD1 4.36Å; W80-I96 HydrophobicContact CZ3-CG1 3.73Å; W80-I96 HydrophobicContact CZ3-CG2 4.03Å; W80-P97 HydrophobicContact CB-CG 4.13Å; W80-P97 VanDerWaalsContact CD2-CD 3.46Å; W80-P97 HydrophobicContact CD2-CG 4.29Å; W80-P97 HydrophobicContact CG-CG 3.65Å; W80-F121 HydrophobicContact CB-CE1 3.74Å; W80-F121 HydrophobicContact CB-CZ 4.08Å |
| 81 | S | 92.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 164.5 | 173.7 | 71.9 | 0 | 0 | 0 | 0 | 112 | Y65 S83 W86 N87 | Y65-S81 VanDerWaalsContact O-CA 3.3Å; Y65-S81 WeakPolarHBondContact O-CA 3.46Å; Y65-S81 WeakPolarHBondContact O-CB 3.18Å; S81-S83 PolarHBondContact O-N 3.06Å; S81-S83 PolarHBondContact OG-N 2.77Å; S81-S83 PolarHBondContact OG-O 3.05Å; S81-W86 WeakPolarHBondContact OG-CB 3.4Å; S81-N87 PolarHBondContact N-OD1 2.51Å; S81-N87 VanDerWaalsContact N-OD1 3.11Å; S81-N87 PolarHBondContact O-ND2 2.88Å; S81-N87 PolarHBondContact O-OD1 3.29Å; S81-N87 PolarHBondContact OG-OD1 3.11Å |
| 82 | S | 90.7 | Very high | 87.4 | Confident | 41 Ų | 41 | 67.6 Ų | 67.6 | 29% | 0.287 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -71.7 | -15.1 | 171.4 | 59.3 | 0 | 0 | 0 | 0 | 113.7 | Y63 D64 Y65 | Y63-S82 WeakPolarHBondContact O-CB 3.4Å; Y63-S82 PolarHBondContact O-OG 2.81Å; D64-S82 WeakPolarHBondContact CA-OG 3.37Å; Y65-S82 PolarHBondContact N-OG 2.84Å; Y65-S82 VanDerWaalsContact N-OG 3.12Å; Y65-S82 PolarHBondContact O-N 2.8Å; Y65-S82 PolarHBondContact O-OG 2.86Å |
| 83 | S | 87.1 | Confident | 87.4 | Confident | 20 Ų | 20 | 65.1 Ų | 65.1 | 14% | 0.14 | 34% | 0.343 | C | S | . | . | trans | -93.9 | 119.7 | -176.8 | 176.7 | 0 | 0 | 0 | 0 | 112 | S81 Q85 W86 N87 | S81-S83 PolarHBondContact O-N 3.06Å; S81-S83 PolarHBondContact OG-N 2.77Å; S81-S83 PolarHBondContact OG-O 3.05Å; S83-Q85 PolarHBondContact O-N 2.88Å; S83-Q85 PolarHBondContact OG-N 2.94Å; S83-W86 PolarHBondContact O-N 2.97Å; S83-N87 VanDerWaalsContact O-CG 3.25Å; S83-N87 PolarHBondContact O-N 2.89Å; S83-N87 PolarHBondContact O-ND2 3.01Å | ||
| 84 | D | 87 | Confident | 87.7 | Confident | 122 Ų | 122 | 64.6 Ų | 64.6 | 65% | 0.652 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -59 | -37.1 | 175.2 | -71.7 | -29.6 | 0 | 0 | 0 | 112.5 | W86 N87 Q88 | D84-W86 VanDerWaalsContact C-N 3.3Å; D84-W86 PolarHBondContact O-N 2.83Å; D84-N87 PolarHBondContact O-N 2.82Å; D84-Q88 WeakPolarHBondContact O-CB 3.33Å; D84-Q88 VanDerWaalsContact O-CG 3.25Å; D84-Q88 WeakPolarHBondContact O-CG 3.33Å; D84-Q88 PolarHBondContact O-N 2.95Å |
| 85 | Q | 83.9 | Confident | 88.4 | Confident | 91 Ų | 91 | 62.6 Ų | 62.6 | 43% | 0.425 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.6 | -39.9 | 179.6 | -67.8 | -179.4 | -25.6 | 0 | 0 | 111.6 | S83 Q89 | S83-Q85 PolarHBondContact O-N 2.88Å; S83-Q85 PolarHBondContact OG-N 2.94Å; Q85-Q89 WeakPolarHBondContact O-CG 3.29Å; Q85-Q89 PolarHBondContact O-N 3.4Å |
| 86 | W | 81 | Confident | 88.9 | Confident | 21 Ų | 21 | 62.5 Ų | 62.5 | 8% | 0.08 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -74.4 | -41.2 | 178.4 | -66.5 | -3.7 | 0 | 0 | 0 | 111.6 | A66 F79 S81 S83 D84 Q88 Q89 E90 Q200 T203 L204 | A66-W86 HydrophobicContact CB-CE3 4.24Å; A66-W86 HydrophobicContact CB-CZ3 3.98Å; F79-W86 HydrophobicContact CE1-CB 4.16Å; F79-W86 HydrophobicContact CZ-CB 4.08Å; S81-W86 WeakPolarHBondContact OG-CB 3.4Å; S83-W86 PolarHBondContact O-N 2.97Å; D84-W86 VanDerWaalsContact C-N 3.3Å; D84-W86 PolarHBondContact O-N 2.83Å; W86-Q88 PolarHBondContact O-N 3.41Å; W86-Q89 PolarHBondContact O-N 2.98Å; W86-E90 PolarHBondContact O-N 3.12Å; W86-Q200 PolarHBondContact NE1-O 2.86Å; W86-T203 WeakPolarHBondContact CZ2-OG1 3.48Å; W86-L204 HydrophobicContact CB-CD1 3.54Å; W86-L204 HydrophobicContact CD2-CD1 4.4Å; W86-L204 HydrophobicContact CG-CD1 3.65Å |
| 87 | N | 87.9 | Confident | 89.2 | Confident | 13 Ų | 13 | 60.3 Ų | 60.3 | 7% | 0.07 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.8 | -33.3 | 176 | -65.1 | -21.2 | 0 | 0 | 0 | 111.7 | F79 S81 S83 D84 E90 L91 L94 | F79-N87 WeakPolarHBondContact CE1-OD1 3.5Å; S81-N87 PolarHBondContact N-OD1 2.51Å; S81-N87 VanDerWaalsContact N-OD1 3.11Å; S81-N87 PolarHBondContact O-ND2 2.88Å; S81-N87 PolarHBondContact O-OD1 3.29Å; S81-N87 PolarHBondContact OG-OD1 3.11Å; S83-N87 VanDerWaalsContact O-CG 3.25Å; S83-N87 PolarHBondContact O-N 2.89Å; S83-N87 PolarHBondContact O-ND2 3.01Å; D84-N87 PolarHBondContact O-N 2.82Å; N87-E90 PolarHBondContact O-N 2.74Å; N87-L91 PolarHBondContact O-N 2.84Å; N87-L94 HydrophobicContact CB-CD1 3.92Å |
| 88 | Q | 85.8 | Confident | 89.4 | Confident | 134 Ų | 134 | 64.1 Ų | 64.1 | 63% | 0.626 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -69.2 | -30 | 174.4 | -75 | 173.7 | 11.7 | 0 | 0 | 113.8 | D84 W86 L91 | D84-Q88 WeakPolarHBondContact O-CB 3.33Å; D84-Q88 VanDerWaalsContact O-CG 3.25Å; D84-Q88 WeakPolarHBondContact O-CG 3.33Å; D84-Q88 PolarHBondContact O-N 2.95Å; W86-Q88 PolarHBondContact O-N 3.41Å; Q88-L91 WeakPolarHBondContact O-CD1 3.21Å; Q88-L91 WeakPolarHBondContact O-CG 3.36Å |
| 89 | Q | 83.2 | Confident | 89.6 | Confident | 117 Ų | 117 | 65.1 Ų | 65.1 | 55% | 0.547 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -75.8 | -29 | 177.9 | -69.7 | 175.4 | -7.7 | 0 | 0 | 112 | Q85 W86 L204 | Q85-Q89 WeakPolarHBondContact O-CG 3.29Å; Q85-Q89 PolarHBondContact O-N 3.4Å; W86-Q89 PolarHBondContact O-N 2.98Å; Q89-L204 HydrophobicContact CB-CD1 4.28Å; Q89-L204 VanDerWaalsContact OE1-CD1 3.25Å |
| 90 | E | 83.6 | Confident | 89.8 | Confident | 27 Ų | 27 | 70.7 Ų | 70.7 | 13% | 0.126 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | 28.6 | -175 | -66.2 | -68.3 | 160.4 | 0 | 0 | 113.1 | Y77 F79 W86 N87 N92 R93 L94 L204 Q208 | Y77-E90 WeakPolarHBondContact CE2-OE2 3.27Å; Y77-E90 PolarHBondContact OH-OE1 3.45Å; Y77-E90 PolarHBondContact OH-OE2 2.88Å; F79-E90 HydrophobicContact CB-CB 4.33Å; F79-E90 HydrophobicContact CD1-CB 3.72Å; F79-E90 HydrophobicContact CD1-CG 4.12Å; F79-E90 HydrophobicContact CE1-CB 4.32Å; F79-E90 HydrophobicContact CE1-CG 4.44Å; F79-E90 HydrophobicContact CG-CB 4.12Å; F79-E90 HydrophobicContact CG-CG 4.28Å; W86-E90 PolarHBondContact O-N 3.12Å; N87-E90 PolarHBondContact O-N 2.74Å; E90-N92 PolarHBondContact O-N 3.38Å; E90-R93 PolarHBondContact O-N 2.74Å; E90-R93 WeakPolarHBondContact OE2-CD 3.36Å; E90-L94 PolarHBondContact O-N 3.23Å; E90-L204 HydrophobicContact CG-CD1 4.42Å; E90-L204 HydrophobicContact CG-CD2 4.01Å; E90-Q208 PolarHBondContact OE1-NE2 3.22Å |
| 91 | L | 85.8 | Confident | 89.9 | Confident | 115 Ų | 115 | 70.3 Ų | 70.3 | 60% | 0.602 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -50.5 | -37.6 | -174.8 | -76.8 | 167.5 | 0 | 0 | 0 | 114.3 | N87 Q88 R93 | N87-L91 PolarHBondContact O-N 2.84Å; Q88-L91 WeakPolarHBondContact O-CD1 3.21Å; Q88-L91 WeakPolarHBondContact O-CG 3.36Å; L91-R93 PolarHBondContact O-N 2.89Å |
| 92 | N | 87.8 | Confident | 90 | Very high | 169 Ų | 169 | 75.7 Ų | 75.7 | 90% | 0.904 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -73 | -8.9 | -177.9 | -66.7 | -23.5 | 0 | 0 | 0 | 113.7 | E90 | E90-N92 PolarHBondContact O-N 3.38Š|
| 93 | R | 88.4 | Confident | 90.1 | Very high | 86 Ų | 86 | 74.8 Ų | 74.8 | 33% | 0.325 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -130 | 7.6 | -172.4 | -57.5 | -177.9 | -175.2 | -82.5 | 14.6 | 112.6 | D75 Y77 Y78 F79 E90 L91 R95 | D75-R93 PolarHBondContact O-NH1 3.27Å; D75-R93 PolarHBondContact O-NH2 3.07Å; Y77-R93 HydrophobicContact CD2-CB 4.46Å; Y77-R93 VanDerWaalsContact CE1-CD 3.44Å; Y77-R93 HydrophobicContact CE2-CB 4.13Å; Y77-R93 HydrophobicContact CE2-CG 4.34Å; Y77-R93 WeakPolarHBondContact OH-CD 3.37Å; Y77-R93 PolarHBondContact OH-NE 2.82Å; Y78-R93 WeakPolarHBondContact CA-O 3.37Å; F79-R93 PolarHBondContact N-O 3.1Å; E90-R93 PolarHBondContact O-N 2.74Å; E90-R93 WeakPolarHBondContact OE2-CD 3.36Å; L91-R93 PolarHBondContact O-N 2.89Å; R93-R95 PolarHBondContact O-N 3.2Å |
| 94 | L | 91.8 | Very high | 90.2 | Very high | 50 Ų | 50 | 75.8 Ų | 75.8 | 26% | 0.262 | 37% | 0.374 | S | S | . | . | B | Isolated β-bridge | trans | -67.7 | 127.1 | -179.5 | -164.5 | 75.3 | 0 | 0 | 0 | 109.6 | F79 W80 N87 E90 I96 | F79-L94 HydrophobicContact CD1-CD1 4.46Å; F79-L94 WeakPolarHBondContact O-CA 3.46Å; W80-L94 HydrophobicContact CE3-CD1 3.61Å; W80-L94 HydrophobicContact CE3-CD2 4.49Å; W80-L94 HydrophobicContact CE3-CG 4.05Å; W80-L94 HydrophobicContact CZ3-CD1 3.96Å; W80-L94 HydrophobicContact CZ3-CD2 4.15Å; W80-L94 HydrophobicContact CZ3-CG 4.22Å; N87-L94 HydrophobicContact CB-CD1 3.92Å; E90-L94 PolarHBondContact O-N 3.23Å; L94-I96 HydrophobicContact CD2-CD1 4.35Å; L94-I96 HydrophobicContact CD2-CG1 4.09Å; L94-I96 HydrophobicContact CG-CG1 4.28Å |
| 95 | R | 93.6 | Very high | 90 | Very high | 55 Ų | 55 | 76.6 Ų | 76.6 | 21% | 0.208 | 37% | 0.369 | C | S | . | . | trans | -127.3 | 109.2 | 168.3 | -172.7 | 68.4 | 75 | -178.3 | 4.9 | 108 | Y78 F79 R93 P97 F121 P122 M123 E124 E127 | Y78-R95 HydrophobicContact CD1-CB 4.25Å; Y78-R95 HydrophobicContact CG-CB 4.48Å; F79-R95 PolarHBondContact O-N 3.31Å; R93-R95 PolarHBondContact O-N 3.2Å; R95-P97 WeakPolarHBondContact O-CD 3.22Å; R95-F121 HydrophobicContact CB-CD1 4.27Å; R95-F121 HydrophobicContact CG-CD1 4.13Å; R95-F121 WeakPolarHBondContact O-CD1 3.09Å; R95-F121 WeakPolarHBondContact O-CE1 3.35Å; R95-P122 VanDerWaalsContact CD-O 3.25Å; R95-P122 WeakPolarHBondContact CD-O 3.37Å; R95-P122 HydrophobicContact CG-CG 4.43Å; R95-M123 HydrophobicContact CG-CE 4.39Å; R95-E124 IonicContact CZ-OE1 3.61Å; R95-E124 IonicContact NH1-OE1 3.97Å; R95-E124 PolarHBondContact NH1-OE1 3.32Å; R95-E124 IonicContact NH2-OE1 3.27Å; R95-E124 PolarHBondContact NH2-OE1 3.06Å; R95-E127 IonicContact CZ-OE1 3.31Å; R95-E127 IonicContact CZ-OE2 2.81Å; R95-E127 IonicContact NH2-OE1 2.95Å; R95-E127 PolarHBondContact NH2-OE1 3.46Å; R95-E127 IonicContact NH2-OE2 3.51Å; R95-E127 PolarHBondContact NH2-OE2 2.88Å | ||
| 96 | I | 94.7 | Very high | 89.1 | Confident | 103 Ų | 103 | 79.8 Ų | 79.8 | 53% | 0.528 | 38% | 0.378 | S | S | . | . | trans | -78.7 | 115.3 | -173.3 | -51.7 | 179.6 | 0 | 0 | 0 | 109.4 | W80 L94 P122 | W80-I96 HydrophobicContact CE3-CB 4.37Å; W80-I96 HydrophobicContact CE3-CG1 4.08Å; W80-I96 HydrophobicContact CE3-CG2 4.39Å; W80-I96 HydrophobicContact CH2-CG1 4.45Å; W80-I96 HydrophobicContact CH2-CG2 4Å; W80-I96 HydrophobicContact CZ2-CG2 4.35Å; W80-I96 HydrophobicContact CZ3-CB 4.25Å; W80-I96 HydrophobicContact CZ3-CD1 4.36Å; W80-I96 HydrophobicContact CZ3-CG1 3.73Å; W80-I96 HydrophobicContact CZ3-CG2 4.03Å; L94-I96 HydrophobicContact CD2-CD1 4.35Å; L94-I96 HydrophobicContact CD2-CG1 4.09Å; L94-I96 HydrophobicContact CG-CG1 4.28Å; I96-P122 WeakPolarHBondContact O-CD 3.44Å; I96-P122 WeakPolarHBondContact O-CG 3.48Å | ||
| 97 | P | 96.3 | Very high | 88.2 | Confident | 12 Ų | 12 | 85.7 Ų | 85.7 | 8% | 0.078 | 41% | 0.411 | C | S | . | . | trans | -87.5 | 163.9 | 174.9 | 34.6 | -30.8 | 0 | 0 | 0 | 112.1 | W80 R95 V99 A119 S120 F121 | W80-P97 HydrophobicContact CB-CG 4.13Å; W80-P97 VanDerWaalsContact CD2-CD 3.46Å; W80-P97 HydrophobicContact CD2-CG 4.29Å; W80-P97 HydrophobicContact CG-CG 3.65Å; R95-P97 WeakPolarHBondContact O-CD 3.22Å; P97-V99 HydrophobicContact CB-CG2 4.22Å; P97-V99 HydrophobicContact CG-CG2 3.63Å; P97-A119 HydrophobicContact CB-CB 4.49Å; P97-S120 CarbonylContact C-O 3.58Å; P97-S120 WeakPolarHBondContact CA-O 3.49Å; P97-S120 WeakPolarHBondContact CB-O 3.29Å; P97-F121 HydrophobicContact CB-CB 4.49Å; P97-F121 HydrophobicContact CB-CD1 3.78Å; P97-F121 HydrophobicContact CB-CD2 3.85Å; P97-F121 HydrophobicContact CB-CE1 3.82Å; P97-F121 HydrophobicContact CB-CE2 3.87Å; P97-F121 HydrophobicContact CB-CG 3.79Å; P97-F121 HydrophobicContact CB-CZ 3.85Å; P97-F121 HydrophobicContact CG-CD1 4.12Å; P97-F121 HydrophobicContact CG-CE1 3.66Å; P97-F121 HydrophobicContact CG-CE2 4.09Å; P97-F121 HydrophobicContact CG-CZ 3.63Å | ||
| 98 | V | 97.1 | Very high | 87 | Confident | 99 Ų | 99 | 91.9 Ų | 91.9 | 60% | 0.6 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 119.5 | 159.8 | -179.3 | 0 | 0 | 0 | 0 | 107.5 | A119 S120 | V98-A119 CarbonylContact O-C 3.57Å; V98-A119 WeakPolarHBondContact O-CA 3.35Å; V98-S120 PolarHBondContact N-O 3.01Å; V98-S120 PolarHBondContact O-N 3.32Å |
| 99 | V | 96.7 | Very high | 86.1 | Confident | 43 Ų | 43 | 91.4 Ų | 91.4 | 26% | 0.261 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 128.3 | -176.6 | -168.6 | 0 | 0 | 0 | 0 | 110.1 | Y65 P97 I101 F117 S118 A119 | Y65-V99 HydrophobicContact CE2-CG2 4.47Å; P97-V99 HydrophobicContact CB-CG2 4.22Å; P97-V99 HydrophobicContact CG-CG2 3.63Å; V99-I101 HydrophobicContact CG1-CD1 3.78Å; V99-I101 HydrophobicContact CG1-CG1 3.64Å; V99-F117 HydrophobicContact CG1-CE2 3.94Å; V99-F117 HydrophobicContact CG1-CZ 3.96Å; V99-S118 CarbonylContact C-O 3.55Å; V99-S118 WeakPolarHBondContact CA-O 3.35Å; V99-A119 HydrophobicContact CG2-CB 4.26Å |
| 100 | E | 97 | Very high | 85.4 | Confident | 120 Ų | 120 | 92.5 Ų | 92.5 | 56% | 0.561 | 46% | 0.456 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 120.8 | 174.6 | -61.3 | -176.9 | 168.1 | 0 | 0 | 108.6 | S118 | E100-S118 PolarHBondContact N-O 2.86Å; E100-S118 PolarHBondContact O-N 3.38Å |
| 101 | I | 96 | Very high | 85.1 | Confident | 39 Ų | 39 | 93.9 Ų | 93.9 | 20% | 0.2 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 125 | -178 | -45.6 | -177.9 | 0 | 0 | 0 | 107.8 | F61 Y63 Y65 V99 L115 K116 F117 | F61-I101 HydrophobicContact CD1-CG2 3.76Å; F61-I101 HydrophobicContact CE1-CD1 3.83Å; F61-I101 HydrophobicContact CE1-CG2 3.76Å; Y63-I101 HydrophobicContact CD1-CD1 4.34Å; Y63-I101 HydrophobicContact CD1-CG2 4.49Å; Y63-I101 HydrophobicContact CE1-CB 4.38Å; Y63-I101 HydrophobicContact CE1-CG2 4.13Å; Y65-I101 HydrophobicContact CD1-CD1 4.18Å; Y65-I101 HydrophobicContact CE1-CD1 3.76Å; V99-I101 HydrophobicContact CG1-CD1 3.78Å; V99-I101 HydrophobicContact CG1-CG1 3.64Å; I101-L115 HydrophobicContact CG2-CD1 3.92Å; I101-K116 WeakPolarHBondContact CA-O 3.48Å; I101-F117 HydrophobicContact CD1-CD2 3.67Å; I101-F117 HydrophobicContact CD1-CE2 3.58Å; I101-F117 HydrophobicContact CG1-CD2 3.71Å; I101-F117 HydrophobicContact CG1-CE2 3.98Å; I101-F117 HydrophobicContact CG2-CD2 4.36Å |
| 102 | Y | 94.1 | Very high | 84.9 | Confident | 112 Ų | 112 | 89 Ų | 89 | 44% | 0.439 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 141.6 | 171.2 | 60.1 | -81.1 | 0 | 0 | 0 | 111.1 | T104 K116 | Y102-T104 HydrophobicContact CD2-CG2 3.9Å; Y102-T104 HydrophobicContact CE2-CG2 3.91Å; Y102-K116 HydrophobicContact CD1-CB 4.29Å; Y102-K116 HydrophobicContact CD2-CB 4.41Å; Y102-K116 HydrophobicContact CE1-CB 3.88Å; Y102-K116 HydrophobicContact CE1-CD 4.32Å; Y102-K116 HydrophobicContact CE2-CB 4.05Å; Y102-K116 HydrophobicContact CE2-CD 3.53Å; Y102-K116 HydrophobicContact CE2-CG 4.26Å; Y102-K116 VanDerWaalsContact CZ-CD 3.4Å; Y102-K116 PolarHBondContact N-O 3.31Å; Y102-K116 PolarHBondContact O-N 3.49Å; Y102-K116 WeakPolarHBondContact OH-CD 3.41Å |
| 103 | E | 92.9 | Very high | 84.9 | Confident | 23 Ų | 23 | 85 Ų | 85 | 11% | 0.107 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 132.7 | 173.8 | -75.1 | -170.5 | 139.8 | 0 | 0 | 109.1 | F61 V112 Q114 L115 Y253 | F61-E103 WeakPolarHBondContact CB-OE1 3.25Å; F61-E103 PolarHBondContact N-OE1 3.41Å; E103-V112 HydrophobicContact CB-CG1 3.65Å; E103-V112 HydrophobicContact CB-CG2 4.47Å; E103-V112 HydrophobicContact CG-CG1 3.95Å; E103-Q114 CarbonylContact C-O 3.54Å; E103-Q114 WeakPolarHBondContact CA-O 3.37Å; E103-L115 HydrophobicContact CG-CD1 3.77Å; E103-Y253 PolarHBondContact OE1-OH 3.4Å |
| 104 | T | 89.4 | Confident | 85.1 | Confident | 40 Ų | 40 | 83 Ų | 83 | 25% | 0.245 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 136.5 | 178.3 | 59.6 | 0 | 0 | 0 | 0 | 111 | Y102 E113 Q114 | Y102-T104 HydrophobicContact CD2-CG2 3.9Å; Y102-T104 HydrophobicContact CE2-CG2 3.91Å; T104-E113 PolarHBondContact O-N 2.94Å; T104-Q114 PolarHBondContact N-O 3.34Å; T104-Q114 PolarHBondContact O-N 3.39Å; T104-Q114 WeakPolarHBondContact OG1-CB 3.49Å; T104-Q114 PolarHBondContact OG1-O 3.41Å |
| 105 | Y | 83.8 | Confident | 85.2 | Confident | 140 Ų | 140 | 80.6 Ų | 80.6 | 55% | 0.549 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 142.5 | 176.5 | -54.4 | -93.6 | 0 | 0 | 0 | 109.4 | V112 | Y105-V112 HydrophobicContact CD1-CG2 3.93Å; Y105-V112 HydrophobicContact CE1-CB 4.31Å; Y105-V112 HydrophobicContact CE1-CG2 3.28Å |
| 106 | Y | 65.2 | Low | 85.4 | Confident | 157 Ų | 157 | 81 Ų | 81 | 62% | 0.616 | 40% | 0.399 | S | S | * | . | trans | -97.6 | 145.4 | 165.1 | -150.1 | -95.5 | 0 | 0 | 0 | 110.9 | D108 E113 | Y106-D108 VanDerWaalsContact C-N 3.3Å; Y106-D108 PolarHBondContact O-N 3.02Å; Y106-E113 VanDerWaalsContact CB-CD 3.43Å; Y106-E113 VanDerWaalsContact CB-OE1 3.29Å; Y106-E113 WeakPolarHBondContact CB-OE1 3.31Å; Y106-E113 WeakPolarHBondContact CB-OE2 3.49Å | ||
| 107 | N | 60.4 | Low | 85.5 | Confident | 146 Ų | 146 | 76.1 Ų | 76.1 | 78% | 0.781 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -24.5 | -153.7 | -85.4 | -23.2 | 0 | 0 | 0 | 117.1 | ||
| 108 | D | 64 | Low | 85.5 | Confident | 142 Ų | 142 | 77 Ų | 77 | 76% | 0.759 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | -22.7 | -162.7 | -74 | -20.9 | 0 | 0 | 0 | 114.9 | Y106 | Y106-D108 VanDerWaalsContact C-N 3.3Å; Y106-D108 PolarHBondContact O-N 3.02Å |
| 109 | N | 66 | Low | 85.5 | Confident | 124 Ų | 124 | 72.3 Ų | 72.3 | 66% | 0.663 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129.1 | 3 | -168.5 | -68.6 | -24.4 | 0 | 0 | 0 | 116.2 | L111 | N109-L111 HydrophobicContact CB-CD1 4.06Å; N109-L111 HydrophobicContact CB-CG 4.02Å; N109-L111 PolarHBondContact O-N 2.8Å |
| 110 | N | 69 | Low | 85.5 | Confident | 141 Ų | 141 | 72 Ų | 72 | 75% | 0.754 | 35% | 0.352 | S | S | * | . | trans | 53.5 | 21.4 | -172.9 | -74.6 | -6.5 | 0 | 0 | 0 | 114.4 | ||||
| 111 | L | 77.5 | Confident | 85.5 | Confident | 55 Ų | 55 | 66.3 Ų | 66.3 | 29% | 0.288 | 33% | 0.326 | S | S | . | . | trans | -86.7 | 135.2 | 175.8 | -64.6 | 174.7 | 0 | 0 | 0 | 109.1 | L58 N109 E113 | L58-L111 HydrophobicContact CD1-CD2 4.46Å; N109-L111 HydrophobicContact CB-CD1 4.06Å; N109-L111 HydrophobicContact CB-CG 4.02Å; N109-L111 PolarHBondContact O-N 2.8Å; L111-E113 PolarHBondContact O-N 2.96Å | ||
| 112 | V | 81.8 | Confident | 85.6 | Confident | 13 Ų | 13 | 67.4 Ų | 67.4 | 8% | 0.079 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 128.6 | 167.5 | -173.6 | 0 | 0 | 0 | 0 | 107.4 | E103 Y105 Y253 | E103-V112 HydrophobicContact CB-CG1 3.65Å; E103-V112 HydrophobicContact CB-CG2 4.47Å; E103-V112 HydrophobicContact CG-CG1 3.95Å; Y105-V112 HydrophobicContact CD1-CG2 3.93Å; Y105-V112 HydrophobicContact CE1-CB 4.31Å; Y105-V112 HydrophobicContact CE1-CG2 3.28Å; V112-Y253 HydrophobicContact CB-CD2 3.89Å; V112-Y253 HydrophobicContact CB-CE2 3.87Å; V112-Y253 HydrophobicContact CG1-CD2 3.62Å; V112-Y253 HydrophobicContact CG1-CE2 3.31Å; V112-Y253 WeakPolarHBondContact O-CD2 3.4Å |
| 113 | E | 86.8 | Confident | 85.6 | Confident | 85 Ų | 85 | 62.7 Ų | 62.7 | 40% | 0.397 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | -25.6 | 178.5 | -70.9 | -171.9 | 174.8 | 0 | 0 | 112.7 | T104 Y106 L111 N252 Y253 | T104-E113 PolarHBondContact O-N 2.94Å; Y106-E113 VanDerWaalsContact CB-CD 3.43Å; Y106-E113 VanDerWaalsContact CB-OE1 3.29Å; Y106-E113 WeakPolarHBondContact CB-OE1 3.31Å; Y106-E113 WeakPolarHBondContact CB-OE2 3.49Å; L111-E113 PolarHBondContact O-N 2.96Å; E113-N252 CarbonylContact O-C 3.53Å; E113-N252 WeakPolarHBondContact O-CA 3.17Å; E113-Y253 PolarHBondContact O-N 3.38Å |
| 114 | Q | 92.5 | Very high | 85.6 | Confident | 43 Ų | 43 | 66.4 Ų | 66.4 | 20% | 0.201 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 137 | -175.3 | 173.9 | -178.8 | 93.9 | 0 | 0 | 112.5 | E103 T104 K116 V250 L251 N252 | E103-Q114 CarbonylContact C-O 3.54Å; E103-Q114 WeakPolarHBondContact CA-O 3.37Å; T104-Q114 PolarHBondContact N-O 3.34Å; T104-Q114 PolarHBondContact O-N 3.39Å; T104-Q114 WeakPolarHBondContact OG1-CB 3.49Å; T104-Q114 PolarHBondContact OG1-O 3.41Å; Q114-K116 HydrophobicContact CG-CG 4.27Å; Q114-V250 VanDerWaalsContact CD-CG1 3.42Å; Q114-V250 HydrophobicContact CG-CG1 3.83Å; Q114-V250 VanDerWaalsContact NE2-CG1 3.25Å; Q114-L251 CarbonylContact C-O 3.59Å; Q114-L251 WeakPolarHBondContact CA-O 3.49Å; Q114-L251 WeakPolarHBondContact CG-O 3.26Å; Q114-N252 PolarHBondContact NE2-OD1 3.26Å |
| 115 | L | 95.5 | Very high | 85.6 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 130.7 | 165.2 | -179.1 | 73.9 | 0 | 0 | 0 | 109.2 | F61 I101 E103 F117 F138 V250 L251 Y253 | F61-L115 HydrophobicContact CB-CD1 3.91Å; F61-L115 HydrophobicContact CD1-CD1 4.08Å; F61-L115 HydrophobicContact CD2-CD2 4.37Å; F61-L115 HydrophobicContact CG-CD1 4Å; F61-L115 HydrophobicContact CG-CD2 4.42Å; I101-L115 HydrophobicContact CG2-CD1 3.92Å; E103-L115 HydrophobicContact CG-CD1 3.77Å; L115-F117 HydrophobicContact CD2-CB 4.29Å; L115-F117 HydrophobicContact CG-CB 4.44Å; L115-F138 HydrophobicContact CD2-CE1 3.77Å; L115-F138 HydrophobicContact CD2-CZ 3.84Å; L115-V250 WeakPolarHBondContact O-CA 3.37Å; L115-L251 HydrophobicContact CB-CB 4.25Å; L115-L251 HydrophobicContact CD2-CD1 3.96Å; L115-L251 HydrophobicContact CD2-CG 4.42Å; L115-L251 PolarHBondContact N-O 3.32Å; L115-L251 PolarHBondContact O-N 3.45Å; L115-Y253 HydrophobicContact CB-CE1 4.33Å |
| 116 | K | 96 | Very high | 85.9 | Confident | 64 Ų | 64 | 67 Ų | 67 | 28% | 0.278 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 120.1 | 162.6 | -66.2 | -177.2 | -173.1 | 177.7 | 0 | 109.1 | I101 Y102 Q114 I249 V250 | I101-K116 WeakPolarHBondContact CA-O 3.48Å; Y102-K116 HydrophobicContact CD1-CB 4.29Å; Y102-K116 HydrophobicContact CD2-CB 4.41Å; Y102-K116 HydrophobicContact CE1-CB 3.88Å; Y102-K116 HydrophobicContact CE1-CD 4.32Å; Y102-K116 HydrophobicContact CE2-CB 4.05Å; Y102-K116 HydrophobicContact CE2-CD 3.53Å; Y102-K116 HydrophobicContact CE2-CG 4.26Å; Y102-K116 VanDerWaalsContact CZ-CD 3.4Å; Y102-K116 PolarHBondContact N-O 3.31Å; Y102-K116 PolarHBondContact O-N 3.49Å; Y102-K116 WeakPolarHBondContact OH-CD 3.41Å; Q114-K116 HydrophobicContact CG-CG 4.27Å; K116-I249 WeakPolarHBondContact CA-O 3.32Å; K116-V250 HydrophobicContact CG-CG2 4.48Å |
| 117 | F | 97.2 | Very high | 87.2 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 120.2 | 178.6 | 175.6 | -74.6 | 0 | 0 | 0 | 108.1 | Y65 I67 V99 I101 L115 A119 I134 L136 I249 | Y65-F117 HydrophobicContact CD1-CE2 4.09Å; Y65-F117 HydrophobicContact CD2-CE2 4.01Å; Y65-F117 AromaticContact CD2-CZ 3.89Å; Y65-F117 HydrophobicContact CD2-CZ 3.89Å; Y65-F117 HydrophobicContact CE1-CE2 4.36Å; Y65-F117 HydrophobicContact CE2-CE2 4.28Å; Y65-F117 HydrophobicContact CE2-CZ 4.14Å; Y65-F117 AromaticContact CG-CE2 3.91Å; Y65-F117 HydrophobicContact CG-CE2 3.91Å; Y65-F117 HydrophobicContact CG-CZ 4.24Å; I67-F117 HydrophobicContact CD1-CE1 3.91Å; I67-F117 HydrophobicContact CD1-CZ 3.83Å; V99-F117 HydrophobicContact CG1-CE2 3.94Å; V99-F117 HydrophobicContact CG1-CZ 3.96Å; I101-F117 HydrophobicContact CD1-CD2 3.67Å; I101-F117 HydrophobicContact CD1-CE2 3.58Å; I101-F117 HydrophobicContact CG1-CD2 3.71Å; I101-F117 HydrophobicContact CG1-CE2 3.98Å; I101-F117 HydrophobicContact CG2-CD2 4.36Å; L115-F117 HydrophobicContact CD2-CB 4.29Å; L115-F117 HydrophobicContact CG-CB 4.44Å; F117-A119 HydrophobicContact CE1-CB 3.75Å; F117-A119 HydrophobicContact CZ-CB 4.18Å; F117-I134 HydrophobicContact CD1-CD1 4.29Å; F117-I134 HydrophobicContact CE1-CD1 3.75Å; F117-I134 HydrophobicContact CZ-CD1 4.12Å; F117-L136 HydrophobicContact CD2-CD2 4.31Å; F117-L136 HydrophobicContact CE2-CD2 4.3Å; F117-I249 HydrophobicContact CB-CB 4.17Å; F117-I249 HydrophobicContact CD1-CB 4.43Å; F117-I249 HydrophobicContact CD1-CD1 3.97Å; F117-I249 HydrophobicContact CD1-CG1 4.23Å; F117-I249 PolarHBondContact N-O 3.06Å; F117-I249 PolarHBondContact O-N 2.97Å |
| 118 | S | 97 | Very high | 88.8 | Confident | 32 Ų | 32 | 57.9 Ų | 57.9 | 22% | 0.224 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 131.2 | 176 | -71.7 | 0 | 0 | 0 | 0 | 109.5 | V99 E100 V247 N248 | V99-S118 CarbonylContact C-O 3.55Å; V99-S118 WeakPolarHBondContact CA-O 3.35Å; E100-S118 PolarHBondContact N-O 2.86Å; E100-S118 PolarHBondContact O-N 3.38Å; S118-V247 CarbonylContact C-O 3.48Å; S118-V247 VanDerWaalsContact CA-O 3.27Å; S118-V247 WeakPolarHBondContact CA-O 3.4Å; S118-N248 PolarHBondContact OG-OD1 3.34Å |
| 119 | A | 97.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 117.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | I67 P97 V98 V99 F117 F121 V247 | I67-A119 HydrophobicContact CD1-CB 3.89Å; P97-A119 HydrophobicContact CB-CB 4.49Å; V98-A119 CarbonylContact O-C 3.57Å; V98-A119 WeakPolarHBondContact O-CA 3.35Å; V99-A119 HydrophobicContact CG2-CB 4.26Å; F117-A119 HydrophobicContact CE1-CB 3.75Å; F117-A119 HydrophobicContact CZ-CB 4.18Å; A119-F121 HydrophobicContact CB-CE2 4.05Å; A119-V247 HydrophobicContact CB-CB 4.38Å; A119-V247 PolarHBondContact N-O 3.25Å; A119-V247 PolarHBondContact O-N 3.07Å |
| 120 | S | 97.1 | Very high | 91.7 | Very high | 37 Ų | 37 | 48 Ų | 48 | 26% | 0.259 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 108.5 | 178.2 | -71.9 | 0 | 0 | 0 | 0 | 110.3 | P97 V98 D246 | P97-S120 CarbonylContact C-O 3.58Å; P97-S120 WeakPolarHBondContact CA-O 3.49Å; P97-S120 WeakPolarHBondContact CB-O 3.29Å; V98-S120 PolarHBondContact N-O 3.01Å; V98-S120 PolarHBondContact O-N 3.32Å; S120-D246 VanDerWaalsContact CB-OD1 3.25Å; S120-D246 WeakPolarHBondContact CB-OD1 3.37Å; S120-D246 PolarHBondContact OG-OD1 3.41Å |
| 121 | F | 96.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 128.3 | 177.1 | -71.2 | -99.2 | 0 | 0 | 0 | 110.5 | I67 L69 W80 R95 P97 A119 M123 R244 F245 | I67-F121 HydrophobicContact CB-CE2 4.35Å; I67-F121 HydrophobicContact CB-CZ 3.82Å; I67-F121 HydrophobicContact CD1-CE2 3.88Å; I67-F121 HydrophobicContact CD1-CZ 3.87Å; I67-F121 HydrophobicContact CG1-CZ 4.45Å; I67-F121 HydrophobicContact CG2-CE2 3.8Å; I67-F121 HydrophobicContact CG2-CZ 3.62Å; L69-F121 HydrophobicContact CD1-CB 4.04Å; L69-F121 HydrophobicContact CD1-CD1 4.05Å; L69-F121 HydrophobicContact CD1-CD2 3.86Å; L69-F121 HydrophobicContact CD1-CE2 4.35Å; L69-F121 HydrophobicContact CD1-CG 3.7Å; W80-F121 HydrophobicContact CB-CE1 3.74Å; W80-F121 HydrophobicContact CB-CZ 4.08Å; R95-F121 HydrophobicContact CB-CD1 4.27Å; R95-F121 HydrophobicContact CG-CD1 4.13Å; R95-F121 WeakPolarHBondContact O-CD1 3.09Å; R95-F121 WeakPolarHBondContact O-CE1 3.35Å; P97-F121 HydrophobicContact CB-CB 4.49Å; P97-F121 HydrophobicContact CB-CD1 3.78Å; P97-F121 HydrophobicContact CB-CD2 3.85Å; P97-F121 HydrophobicContact CB-CE1 3.82Å; P97-F121 HydrophobicContact CB-CE2 3.87Å; P97-F121 HydrophobicContact CB-CG 3.79Å; P97-F121 HydrophobicContact CB-CZ 3.85Å; P97-F121 HydrophobicContact CG-CD1 4.12Å; P97-F121 HydrophobicContact CG-CE1 3.66Å; P97-F121 HydrophobicContact CG-CE2 4.09Å; P97-F121 HydrophobicContact CG-CZ 3.63Å; A119-F121 HydrophobicContact CB-CE2 4.05Å; F121-M123 HydrophobicContact CB-CE 3.36Å; F121-M123 HydrophobicContact CG-CE 4.25Å; F121-R244 CarbonylContact O-C 3.59Å; F121-R244 WeakPolarHBondContact O-CA 3.36Å; F121-R244 WeakPolarHBondContact O-CB 3.08Å; F121-F245 HydrophobicContact CB-CB 4.42Å; F121-F245 PolarHBondContact N-O 3.21Å; F121-F245 PolarHBondContact O-N 3.47Å |
| 122 | P | 96.5 | Very high | 93.7 | Very high | 62 Ų | 62 | 39.9 Ų | 39.9 | 40% | 0.403 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 134.4 | 170.8 | 27.2 | -30.1 | 0 | 0 | 0 | 110 | R95 I96 | R95-P122 VanDerWaalsContact CD-O 3.25Å; R95-P122 WeakPolarHBondContact CD-O 3.37Å; R95-P122 HydrophobicContact CG-CG 4.43Å; I96-P122 WeakPolarHBondContact O-CD 3.44Å; I96-P122 WeakPolarHBondContact O-CG 3.48Å |
| 123 | M | 94.4 | Very high | 94.3 | Very high | 12 Ų | 12 | 41.6 Ų | 41.6 | 6% | 0.059 | 23% | 0.225 | C | C | . | . | trans | -123.2 | 140.5 | -177.8 | -66.2 | -72.8 | 137.2 | 0 | 0 | 110.4 | L69 R95 F121 E127 I129 A239 G243 F245 | L69-M123 HydrophobicContact CD1-CE 3.63Å; R95-M123 HydrophobicContact CG-CE 4.39Å; F121-M123 HydrophobicContact CB-CE 3.36Å; F121-M123 HydrophobicContact CG-CE 4.25Å; M123-E127 HydrophobicContact SD-CB 4.42Å; M123-I129 HydrophobicContact SD-CD1 3.96Å; M123-I129 HydrophobicContact SD-CG1 4.09Å; M123-A239 HydrophobicContact CB-CB 4.36Å; M123-A239 HydrophobicContact CG-CB 3.95Å; M123-G243 PolarHBondContact N-O 3.34Å; M123-G243 CarbonylContact O-C 3.55Å; M123-G243 WeakPolarHBondContact O-CA 3.36Å; M123-F245 HydrophobicContact CE-CB 4.08Å; M123-F245 HydrophobicContact CG-CB 3.93Å; M123-F245 HydrophobicContact SD-CB 4.41Å | ||
| 124 | E | 92.8 | Very high | 94.6 | Very high | 102 Ų | 102 | 37.5 Ų | 37.5 | 48% | 0.477 | 21% | 0.206 | S | C | . | . | trans | -82.6 | 154.3 | 173.7 | -63.5 | 170.8 | -152.9 | 0 | 0 | 111 | R95 T126 E127 G240 | R95-E124 IonicContact CZ-OE1 3.61Å; R95-E124 IonicContact NH1-OE1 3.97Å; R95-E124 PolarHBondContact NH1-OE1 3.32Å; R95-E124 IonicContact NH2-OE1 3.27Å; R95-E124 PolarHBondContact NH2-OE1 3.06Å; E124-T126 PolarHBondContact O-N 2.86Å; E124-E127 HydrophobicContact CB-CG 3.91Å; E124-E127 PolarHBondContact N-OE2 2.76Å; E124-E127 WeakPolarHBondContact O-CB 3.44Å; E124-E127 PolarHBondContact O-N 3.44Å; E124-G240 WeakPolarHBondContact O-CA 3.45Å | ||
| 125 | A | 90.6 | Very high | 94.5 | Very high | 80 Ų | 80 | 36.2 Ų | 36.2 | 66% | 0.661 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -15.7 | -172.9 | 0 | 0 | 0 | 0 | 0 | 116 | G240 | A125-G240 WeakPolarHBondContact CA-O 3.34Š|
| 126 | T | 90.2 | Very high | 94.3 | Very high | 113 Ų | 113 | 36.2 Ų | 36.2 | 69% | 0.693 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | -9.5 | 179.7 | 63.2 | 0 | 0 | 0 | 0 | 113.6 | E124 | E124-T126 PolarHBondContact O-N 2.86Š|
| 127 | E | 92.3 | Very high | 94.1 | Very high | 11 Ų | 11 | 33.5 Ų | 33.5 | 5% | 0.051 | 19% | 0.188 | C | C | . | . | trans | -85.2 | 134.7 | -173.3 | -59.7 | -178.5 | 139.6 | 0 | 0 | 110.9 | Y78 R95 M123 E124 G240 | Y78-E127 WeakPolarHBondContact CE1-OE1 3.34Å; Y78-E127 VanDerWaalsContact CZ-CD 3.49Å; Y78-E127 WeakPolarHBondContact OH-CG 3.47Å; Y78-E127 PolarHBondContact OH-OE1 3.21Å; R95-E127 IonicContact CZ-OE1 3.31Å; R95-E127 IonicContact CZ-OE2 2.81Å; R95-E127 IonicContact NH2-OE1 2.95Å; R95-E127 PolarHBondContact NH2-OE1 3.46Å; R95-E127 IonicContact NH2-OE2 3.51Å; R95-E127 PolarHBondContact NH2-OE2 2.88Å; M123-E127 HydrophobicContact SD-CB 4.42Å; E124-E127 HydrophobicContact CB-CG 3.91Å; E124-E127 PolarHBondContact N-OE2 2.76Å; E124-E127 WeakPolarHBondContact O-CB 3.44Å; E124-E127 PolarHBondContact O-N 3.44Å; E127-G240 WeakPolarHBondContact O-CA 3.14Å; E127-G240 PolarHBondContact O-N 3.24Å; E127-G240 VanDerWaalsContact O-N 3.16Å | ||
| 128 | R | 93.8 | Very high | 93.9 | Very high | 99 Ų | 99 | 33.5 Ų | 33.5 | 37% | 0.374 | 19% | 0.188 | S | C | . | . | trans | -133.2 | 133.7 | 179.2 | -66.6 | -170.5 | 179.5 | 101.8 | 6.7 | 109.3 | G71 Y130 D238 | G71-R128 VanDerWaalsContact CA-O 3.23Å; G71-R128 WeakPolarHBondContact CA-O 3.37Å; R128-Y130 HydrophobicContact CB-CE2 3.77Å; R128-D238 IonicContact CZ-OD2 3.51Å; R128-D238 IonicContact NE-OD2 3.03Å; R128-D238 PolarHBondContact NE-OD2 2.95Å; R128-D238 IonicContact NH2-OD2 3.47Å; R128-D238 PolarHBondContact NH2-OD2 3.14Å | ||
| 129 | I | 95.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 124.7 | -175.4 | -54.1 | -53.2 | 0 | 0 | 0 | 109.2 | L69 Y70 Y78 M123 A131 S163 G164 W234 A239 F245 | L69-I129 HydrophobicContact CB-CD1 3.99Å; L69-I129 HydrophobicContact CB-CG1 4.48Å; L69-I129 HydrophobicContact CB-CG2 4.01Å; L69-I129 HydrophobicContact CD2-CG2 4.44Å; Y70-I129 CarbonylContact O-C 3.51Å; Y70-I129 WeakPolarHBondContact O-CA 3.49Å; Y78-I129 HydrophobicContact CD2-CD1 3.64Å; Y78-I129 HydrophobicContact CE2-CD1 3.6Å; M123-I129 HydrophobicContact SD-CD1 3.96Å; M123-I129 HydrophobicContact SD-CG1 4.09Å; I129-A131 WeakPolarHBondContact CG2-O 3.2Å; I129-S163 CarbonylContact O-C 3.55Å; I129-S163 VanDerWaalsContact O-CA 3.23Å; I129-S163 WeakPolarHBondContact O-CA 3.48Å; I129-G164 PolarHBondContact O-N 3.15Å; I129-W234 HydrophobicContact CG2-CH2 4.07Å; I129-A239 HydrophobicContact CG1-CB 4.44Å; I129-F245 HydrophobicContact CB-CD2 4.02Å; I129-F245 HydrophobicContact CB-CE2 4.03Å; I129-F245 HydrophobicContact CG1-CD2 4.02Å; I129-F245 HydrophobicContact CG1-CG 4.33Å; I129-F245 HydrophobicContact CG2-CD2 4.26Å; I129-F245 HydrophobicContact CG2-CE2 3.93Å; I129-F245 HydrophobicContact CG2-CZ 4.16Å |
| 130 | Y | 95 | Very high | 93.2 | Very high | 60 Ų | 60 | 35 Ų | 35 | 24% | 0.235 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | -24.7 | -177.9 | -68.9 | -91.1 | 0 | 0 | 0 | 113 | Y70 G71 Q72 R128 S160 | Y70-Y130 PolarHBondContact O-N 2.76Å; G71-Y130 WeakPolarHBondContact O-CD2 3.11Å; Q72-Y130 HydrophobicContact CB-CD2 4.43Å; Q72-Y130 HydrophobicContact CB-CE2 3.9Å; Q72-Y130 HydrophobicContact CG-CE2 4.31Å; R128-Y130 HydrophobicContact CB-CE2 3.77Å; Y130-S160 PolarHBondContact O-N 2.82Å |
| 131 | A | 94.3 | Very high | 92.9 | Very high | 24 Ų | 24 | 36.1 Ų | 36.1 | 20% | 0.198 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 155.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y70 I129 H158 | Y70-A131 HydrophobicContact CD2-CB 4.02Å; Y70-A131 HydrophobicContact CG-CB 4.38Å; Y70-A131 PolarHBondContact N-O 3.15Å; Y70-A131 PolarHBondContact O-N 2.89Å; I129-A131 WeakPolarHBondContact CG2-O 3.2Å; A131-H158 CarbonylContact C-O 3.04Å; A131-H158 WeakPolarHBondContact CA-O 3.42Å; A131-H158 WeakPolarHBondContact CB-O 3.46Å |
| 132 | A | 94.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 146.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | I68 L69 D157 H158 W167 W234 | I68-A132 CarbonylContact O-C 3.58Å; I68-A132 WeakPolarHBondContact O-CA 3.25Å; L69-A132 HydrophobicContact CD2-CB 3.74Å; A132-D157 WeakPolarHBondContact O-CA 3.32Å; A132-H158 PolarHBondContact N-O 2.91Å; A132-H158 PolarHBondContact O-N 2.79Å; A132-W167 HydrophobicContact CB-CD2 4.21Å; A132-W167 HydrophobicContact CB-CE3 3.44Å; A132-W167 VanDerWaalsContact CB-CE3 3.44Å; A132-W167 HydrophobicContact CB-CH2 4.3Å; A132-W167 HydrophobicContact CB-CZ3 3.5Å; A132-W234 HydrophobicContact CB-CH2 4.35Å; A132-W234 HydrophobicContact CB-CZ3 4Å |
| 133 | K | 93.6 | Very high | 91.9 | Very high | 49 Ų | 49 | 39.7 Ų | 39.7 | 21% | 0.213 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 134.7 | 173 | -70.9 | -177.1 | -177.8 | -179.7 | 0 | 108.8 | I67 I68 Y70 M155 F156 D157 F207 | I67-K133 CarbonylContact C-O 3.58Å; I67-K133 WeakPolarHBondContact CA-O 3.38Å; I68-K133 PolarHBondContact N-O 3.17Å; I68-K133 PolarHBondContact O-N 3.02Å; Y70-K133 HydrophobicContact CE2-CB 4.35Å; Y70-K133 HydrophobicContact CE2-CD 3.83Å; Y70-K133 HydrophobicContact CE2-CG 3.91Å; K133-M155 HydrophobicContact CB-CE 4.31Å; K133-M155 HydrophobicContact CD-CE 3.74Å; K133-M155 HydrophobicContact CG-CE 4.19Å; K133-F156 CarbonylContact C-O 3.46Å; K133-F156 WeakPolarHBondContact CA-O 3.43Å; K133-D157 HydrophobicContact CD-CB 4.43Å; K133-D157 HydrophobicContact CG-CB 3.78Å; K133-F207 HydrophobicContact CB-CE1 4.43Å; K133-F207 HydrophobicContact CB-CZ 4.29Å |
| 134 | I | 93.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 142 | 172.5 | -174.6 | 169.1 | 0 | 0 | 0 | 110.2 | A66 I67 F117 L136 M155 F156 W167 I169 I249 | A66-I134 CarbonylContact O-C 3.56Å; A66-I134 WeakPolarHBondContact O-CA 3.21Å; I67-I134 HydrophobicContact CD1-CD1 3.93Å; I67-I134 HydrophobicContact CG1-CB 4.24Å; I67-I134 HydrophobicContact CG1-CD1 3.63Å; I67-I134 HydrophobicContact CG1-CG1 3.68Å; F117-I134 HydrophobicContact CD1-CD1 4.29Å; F117-I134 HydrophobicContact CE1-CD1 3.75Å; F117-I134 HydrophobicContact CZ-CD1 4.12Å; I134-L136 HydrophobicContact CD1-CD2 3.89Å; I134-L136 HydrophobicContact CD1-CG 4.28Å; I134-L136 HydrophobicContact CG1-CD2 4.2Å; I134-L136 HydrophobicContact CG1-CG 4.29Å; I134-M155 VanDerWaalsContact O-CA 3.31Å; I134-M155 WeakPolarHBondContact O-CA 3.23Å; I134-F156 HydrophobicContact CG2-CB 3.8Å; I134-F156 HydrophobicContact CG2-CD2 3.85Å; I134-F156 HydrophobicContact CG2-CG 4.33Å; I134-F156 PolarHBondContact N-O 3.41Å; I134-F156 PolarHBondContact O-N 2.88Å; I134-W167 HydrophobicContact CB-CZ3 4.18Å; I134-W167 HydrophobicContact CG2-CH2 3.75Å; I134-W167 HydrophobicContact CG2-CZ3 3.74Å; I134-I169 HydrophobicContact CG2-CD1 4.16Å; I134-I249 HydrophobicContact CD1-CD1 3.42Å; I134-I249 VanDerWaalsContact CD1-CD1 3.42Å; I134-I249 HydrophobicContact CG1-CD1 4.47Å; I134-I249 HydrophobicContact CG2-CD1 4.04Å |
| 135 | R | 90.1 | Very high | 90.7 | Very high | 16 Ų | 16 | 46.3 Ų | 46.3 | 6% | 0.06 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 137.6 | 169.8 | 169.5 | -170 | 174.3 | 169.9 | 2.2 | 109 | Y65 A66 L137 Y153 V154 T203 F207 | Y65-R135 WeakPolarHBondContact CA-O 3.36Å; Y65-R135 WeakPolarHBondContact CB-O 3.39Å; A66-R135 PolarHBondContact N-O 3.23Å; A66-R135 VanDerWaalsContact N-O 3.11Å; A66-R135 PolarHBondContact O-N 2.86Å; R135-L137 VanDerWaalsContact NH2-CD1 3.26Å; R135-Y153 VanDerWaalsContact CD-CE2 3.45Å; R135-Y153 HydrophobicContact CG-CD2 4.16Å; R135-Y153 HydrophobicContact CG-CE2 3.53Å; R135-Y153 VanDerWaalsContact NE-CE2 3.27Å; R135-V154 CarbonylContact C-O 3.59Å; R135-V154 WeakPolarHBondContact CA-O 3.49Å; R135-T203 PolarHBondContact NH1-OG1 3.01Å; R135-F207 HydrophobicContact CB-CE2 4.24Å |
| 136 | L | 92.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 141.9 | 172.4 | -58.6 | 172.9 | 0 | 0 | 0 | 109.3 | F61 F117 I134 F138 V154 F156 I249 L251 | F61-L136 HydrophobicContact CE2-CB 4.12Å; F61-L136 HydrophobicContact CE2-CD2 3.92Å; F61-L136 HydrophobicContact CZ-CD2 4.05Å; F117-L136 HydrophobicContact CD2-CD2 4.31Å; F117-L136 HydrophobicContact CE2-CD2 4.3Å; I134-L136 HydrophobicContact CD1-CD2 3.89Å; I134-L136 HydrophobicContact CD1-CG 4.28Å; I134-L136 HydrophobicContact CG1-CD2 4.2Å; I134-L136 HydrophobicContact CG1-CG 4.29Å; L136-F138 HydrophobicContact CB-CD2 4.46Å; L136-F138 HydrophobicContact CB-CE2 3.52Å; L136-F138 HydrophobicContact CB-CZ 3.9Å; L136-F138 HydrophobicContact CD1-CE2 4.39Å; L136-F138 HydrophobicContact CD1-CZ 4.12Å; L136-V154 HydrophobicContact CB-CB 4.41Å; L136-V154 PolarHBondContact N-O 2.79Å; L136-V154 PolarHBondContact O-N 2.99Å; L136-F156 HydrophobicContact CD1-CE2 4.36Å; L136-I249 HydrophobicContact CD1-CD1 4.23Å; L136-I249 HydrophobicContact CD1-CG2 4.47Å; L136-L251 HydrophobicContact CD1-CD1 4.01Å |
| 137 | L | 91.1 | Very high | 90 | Very high | 7 Ų | 7 | 41.2 Ų | 41.2 | 4% | 0.037 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 138 | 174.3 | -71.8 | 172.7 | 0 | 0 | 0 | 110.6 | F61 N62 D64 R135 T151 L152 Y153 | F61-L137 VanDerWaalsContact CD2-O 3.23Å; F61-L137 WeakPolarHBondContact CD2-O 3.3Å; F61-L137 WeakPolarHBondContact CE2-O 3.48Å; N62-L137 PolarHBondContact N-O 3.49Å; N62-L137 VanDerWaalsContact N-O 3.15Å; D64-L137 HydrophobicContact CB-CB 3.82Å; D64-L137 HydrophobicContact CB-CD1 3.6Å; D64-L137 HydrophobicContact CB-CG 4.18Å; D64-L137 PolarHBondContact O-N 2.86Å; R135-L137 VanDerWaalsContact NH2-CD1 3.26Å; L137-T151 HydrophobicContact CD2-CG2 3.93Å; L137-L152 WeakPolarHBondContact CA-O 3.5Å; L137-Y153 HydrophobicContact CD2-CD2 3.77Å; L137-Y153 HydrophobicContact CD2-CG 4.36Å |
| 138 | F | 92 | Very high | 89.7 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 150.2 | 179.2 | -55 | -97.9 | 0 | 0 | 0 | 110.6 | I59 Q60 F61 L115 L136 T151 L152 V154 L173 L251 Y253 | I59-F138 HydrophobicContact CG2-CB 3.9Å; I59-F138 HydrophobicContact CG2-CD1 3.78Å; I59-F138 HydrophobicContact CG2-CG 4.11Å; Q60-F138 CarbonylContact O-C 3.56Å; Q60-F138 VanDerWaalsContact O-CA 3.29Å; Q60-F138 WeakPolarHBondContact O-CA 3.38Å; Q60-F138 WeakPolarHBondContact O-CB 3.48Å; F61-F138 HydrophobicContact CB-CD1 3.98Å; F61-F138 HydrophobicContact CB-CE1 3.97Å; F61-F138 AromaticContact CD2-CD1 3.8Å; F61-F138 HydrophobicContact CD2-CD1 3.8Å; F61-F138 AromaticContact CD2-CE1 3.49Å; F61-F138 HydrophobicContact CD2-CE1 3.49Å; F61-F138 VanDerWaalsContact CD2-CE1 3.49Å; F61-F138 HydrophobicContact CD2-CE2 4.47Å; F61-F138 HydrophobicContact CD2-CG 4.4Å; F61-F138 AromaticContact CD2-CZ 3.84Å; F61-F138 HydrophobicContact CD2-CZ 3.84Å; F61-F138 HydrophobicContact CE2-CE1 4.41Å; F61-F138 HydrophobicContact CE2-CZ 4.34Å; F61-F138 HydrophobicContact CG-CD1 4.38Å; F61-F138 HydrophobicContact CG-CE1 4.12Å; L115-F138 HydrophobicContact CD2-CE1 3.77Å; L115-F138 HydrophobicContact CD2-CZ 3.84Å; L136-F138 HydrophobicContact CB-CD2 4.46Å; L136-F138 HydrophobicContact CB-CE2 3.52Å; L136-F138 HydrophobicContact CB-CZ 3.9Å; L136-F138 HydrophobicContact CD1-CE2 4.39Å; L136-F138 HydrophobicContact CD1-CZ 4.12Å; F138-T151 CarbonylContact O-C 3.53Å; F138-T151 WeakPolarHBondContact O-CA 3.36Å; F138-L152 HydrophobicContact CB-CB 4.13Å; F138-L152 HydrophobicContact CB-CD2 4.45Å; F138-L152 PolarHBondContact N-O 3.1Å; F138-L152 PolarHBondContact O-N 3.25Å; F138-V154 HydrophobicContact CD2-CG2 3.77Å; F138-V154 HydrophobicContact CE2-CB 4.07Å; F138-V154 HydrophobicContact CE2-CG2 3.59Å; F138-L173 HydrophobicContact CD1-CD2 4.43Å; F138-L173 HydrophobicContact CD2-CD2 4.36Å; F138-L173 HydrophobicContact CE1-CD2 4.45Å; F138-L173 HydrophobicContact CE2-CD2 4.39Å; F138-L173 HydrophobicContact CG-CD2 4.41Å; F138-L173 HydrophobicContact CZ-CD2 4.46Å; F138-L251 HydrophobicContact CE1-CD1 4.34Å; F138-L251 HydrophobicContact CE2-CD1 4.27Å; F138-L251 HydrophobicContact CZ-CD1 3.56Å; F138-Y253 HydrophobicContact CE1-CE1 4.27Å; F138-Y253 WeakPolarHBondContact CE1-OH 3.26Å |
| 139 | D | 90.5 | Very high | 89.4 | Confident | 62 Ų | 62 | 40.2 Ų | 40.2 | 33% | 0.332 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 120.2 | 162.7 | -74.4 | -25.5 | 0 | 0 | 0 | 108.1 | I59 Q60 N62 | I59-D139 WeakPolarHBondContact CA-O 3.47Å; Q60-D139 PolarHBondContact N-O 3.25Å; Q60-D139 PolarHBondContact O-N 3.5Å; N62-D139 VanDerWaalsContact CG-CG 3.47Å; N62-D139 PolarHBondContact ND2-OD1 2.98Å; N62-D139 WeakPolarHBondContact OD1-CB 3.25Å; N62-D139 PolarHBondContact OD1-N 3.17Å; N62-D139 PolarHBondContact OD1-OD1 2.76Å; N62-D139 PolarHBondContact OD1-OD2 2.88Å |
| 140 | F | 90.3 | Very high | 88.9 | Confident | 1 Ų | 1 | 40.8 Ų | 40.8 | 0% | 0.004 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 126.7 | 180 | 177.7 | -85.4 | 0 | 0 | 0 | 109.7 | P57 I59 L142 F148 A149 T150 L152 I175 Y258 | P57-F140 HydrophobicContact CB-CD2 4.04Å; P57-F140 HydrophobicContact CB-CE2 3.3Å; P57-F140 HydrophobicContact CB-CZ 3.76Å; P57-F140 HydrophobicContact CG-CE2 4Å; I59-F140 HydrophobicContact CD1-CD2 4.01Å; I59-F140 HydrophobicContact CD1-CE2 4.27Å; I59-F140 HydrophobicContact CG1-CD2 3.87Å; I59-F140 HydrophobicContact CG1-CE2 4.35Å; F140-L142 HydrophobicContact CE1-CD1 3.98Å; F140-L142 HydrophobicContact CE1-CD2 4.26Å; F140-L142 HydrophobicContact CE1-CG 3.69Å; F140-L142 HydrophobicContact CZ-CD1 4.23Å; F140-L142 HydrophobicContact CZ-CD2 3.94Å; F140-L142 HydrophobicContact CZ-CG 3.89Å; F140-F148 HydrophobicContact CD1-CD1 4.23Å; F140-F148 HydrophobicContact CD1-CE1 4.2Å; F140-F148 HydrophobicContact CE1-CD1 4.11Å; F140-F148 HydrophobicContact CE1-CE1 4.25Å; F140-A149 WeakPolarHBondContact O-CA 3.39Å; F140-T150 HydrophobicContact CB-CG2 4Å; F140-T150 HydrophobicContact CD1-CG2 3.87Å; F140-T150 HydrophobicContact CG-CG2 4.31Å; F140-T150 PolarHBondContact N-O 3.29Å; F140-T150 PolarHBondContact O-N 3.28Å; F140-L152 HydrophobicContact CB-CB 3.9Å; F140-L152 HydrophobicContact CD2-CD2 4.26Å; F140-I175 HydrophobicContact CD2-CG2 3.8Å; F140-I175 HydrophobicContact CE1-CD1 4.1Å; F140-I175 HydrophobicContact CE1-CG2 4.39Å; F140-I175 HydrophobicContact CE2-CG2 3.53Å; F140-I175 HydrophobicContact CG-CG2 4.36Å; F140-I175 HydrophobicContact CZ-CD1 3.92Å; F140-I175 HydrophobicContact CZ-CG2 3.86Å; F140-Y258 AromaticContact CZ-CE1 3.93Å; F140-Y258 HydrophobicContact CZ-CE1 3.93Å; F140-Y258 AromaticContact CZ-CZ 4Å |
| 141 | Q | 89.5 | Confident | 88.5 | Confident | 61 Ų | 61 | 38.7 Ų | 38.7 | 29% | 0.285 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 136.5 | 177.5 | -59.6 | -174.9 | -8.6 | 0 | 0 | 111.7 | L58 F148 A149 | L58-Q141 HydrophobicContact CB-CB 4.21Å; L58-Q141 PolarHBondContact N-O 2.73Å; L58-Q141 PolarHBondContact O-N 3.44Å; Q141-F148 CarbonylContact C-O 3.55Å; Q141-F148 VanDerWaalsContact CA-O 3.27Å; Q141-F148 WeakPolarHBondContact CA-O 3.48Å; Q141-A149 HydrophobicContact CG-CB 4.04Å |
| 142 | L | 88.7 | Confident | 88.3 | Confident | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 140.6 | 161.5 | -63.3 | 169.2 | 0 | 0 | 0 | 107.5 | E55 P57 F140 C146 F148 L181 Y258 | E55-L142 HydrophobicContact CB-CD2 4.31Å; E55-L142 HydrophobicContact CG-CD2 3.96Å; P57-L142 HydrophobicContact CB-CD2 4.12Å; F140-L142 HydrophobicContact CE1-CD1 3.98Å; F140-L142 HydrophobicContact CE1-CD2 4.26Å; F140-L142 HydrophobicContact CE1-CG 3.69Å; F140-L142 HydrophobicContact CZ-CD1 4.23Å; F140-L142 HydrophobicContact CZ-CD2 3.94Å; F140-L142 HydrophobicContact CZ-CG 3.89Å; L142-C146 CarbonylContact C-O 2.92Å; L142-C146 HydrophobicContact CB-CB 4.46Å; L142-C146 WeakPolarHBondContact CB-O 3.39Å; L142-F148 HydrophobicContact CB-CB 4.38Å; L142-F148 HydrophobicContact CD1-CD1 4.49Å; L142-F148 PolarHBondContact N-O 3.19Å; L142-F148 PolarHBondContact O-N 3.31Å; L142-L181 HydrophobicContact CD1-CD1 3.72Å; L142-Y258 HydrophobicContact CD1-CD1 4.47Å; L142-Y258 HydrophobicContact CD1-CD2 4.15Å; L142-Y258 HydrophobicContact CD1-CG 4.1Å; L142-Y258 HydrophobicContact CD2-CD2 3.85Å; L142-Y258 HydrophobicContact CD2-CE2 3.58Å |
| 143 | K | 84.6 | Confident | 87.9 | Confident | 136 Ų | 136 | 39.5 Ų | 39.5 | 59% | 0.591 | 20% | 0.195 | S | C | * | . | trans | -138.3 | -22.7 | -177.8 | -73.6 | -166.8 | 178.6 | 174.1 | 0 | 114.7 | E55 C146 | E55-K143 PolarHBondContact OE1-N 2.82Å; K143-C146 WeakPolarHBondContact CA-O 3.42Å; K143-C146 PolarHBondContact N-O 2.62Å | ||
| 144 | Q | 82.4 | Confident | 87.8 | Confident | 132 Ų | 132 | 37.1 Ų | 37.1 | 62% | 0.617 | 19% | 0.185 | S | C | * | . | S | Bend | trans | -71.8 | -52.6 | -171.9 | -59.1 | -177.7 | 1.5 | 0 | 0 | 111.6 | E55 | E55-Q144 VanDerWaalsContact CD-CB 3.48Å; E55-Q144 HydrophobicContact CG-CB 4.09Å; E55-Q144 HydrophobicContact CG-CG 3.95Å; E55-Q144 WeakPolarHBondContact OE1-CB 3.47Å; E55-Q144 WeakPolarHBondContact OE1-CG 3.36Å; E55-Q144 PolarHBondContact OE1-N 3.45Å |
| 145 | Q | 80.6 | Confident | 87.7 | Confident | 121 Ų | 121 | 39.4 Ų | 39.4 | 57% | 0.565 | 20% | 0.197 | S | C | * | . | S | Bend | trans | -114.9 | -21.7 | -179.8 | -59 | -159.2 | 9.1 | 0 | 0 | 113.8 | V53 E55 | V53-Q145 HydrophobicContact CG1-CB 4.01Å; V53-Q145 HydrophobicContact CG1-CG 3.79Å; V53-Q145 HydrophobicContact CG2-CB 4.49Å; E55-Q145 PolarHBondContact OE2-N 3.01Å |
| 146 | C | 81.1 | Confident | 87.8 | Confident | 3 Ų | 3 | 39.3 Ų | 39.3 | 2% | 0.02 | 20% | 0.197 | C | C | . | . | trans | -132.8 | 128.4 | -177.4 | -169.1 | 0 | 0 | 0 | 0 | 107.8 | L142 K143 F148 C183 I260 | L142-C146 CarbonylContact C-O 2.92Å; L142-C146 HydrophobicContact CB-CB 4.46Å; L142-C146 WeakPolarHBondContact CB-O 3.39Å; K143-C146 WeakPolarHBondContact CA-O 3.42Å; K143-C146 PolarHBondContact N-O 2.62Å; C146-F148 PolarHBondContact O-N 3.01Å; C146-C183 HydrophobicContact CB-CB 4.06Å; C146-C183 WeakPolarHBondContact CB-SG 3.38Å; C146-C183 WeakPolarHBondContact SG-CA 3.44Å; C146-C183 WeakPolarHBondContact SG-CB 3.48Å; C146-C183 CovalentContact SG-SG 2.03Å; C146-C183 PolarHBondContact SG-SG 3.49Å; C146-I260 HydrophobicContact CB-CD1 4.14Å; C146-I260 HydrophobicContact CB-CG2 4.39Å | ||
| 147 | N | 84.8 | Confident | 87.8 | Confident | 82 Ų | 82 | 44.4 Ų | 44.4 | 44% | 0.439 | 22% | 0.224 | S | C | . | . | trans | -87.1 | 96 | 168.1 | -173.8 | 14.3 | 0 | 0 | 0 | 107.5 | P186 | N147-P186 WeakPolarHBondContact ND2-CD 3.2Š| ||
| 148 | F | 85.3 | Confident | 87.9 | Confident | 35 Ų | 35 | 46.3 Ų | 46.3 | 15% | 0.154 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 132.1 | -178.9 | 175.6 | -97 | 0 | 0 | 0 | 108.8 | F140 Q141 L142 C146 T150 L181 | F140-F148 HydrophobicContact CD1-CD1 4.23Å; F140-F148 HydrophobicContact CD1-CE1 4.2Å; F140-F148 HydrophobicContact CE1-CD1 4.11Å; F140-F148 HydrophobicContact CE1-CE1 4.25Å; Q141-F148 CarbonylContact C-O 3.55Å; Q141-F148 VanDerWaalsContact CA-O 3.27Å; Q141-F148 WeakPolarHBondContact CA-O 3.48Å; L142-F148 HydrophobicContact CB-CB 4.38Å; L142-F148 HydrophobicContact CD1-CD1 4.49Å; L142-F148 PolarHBondContact N-O 3.19Å; L142-F148 PolarHBondContact O-N 3.31Å; C146-F148 PolarHBondContact O-N 3.01Å; F148-T150 HydrophobicContact CD1-CG2 4.45Å; F148-T150 HydrophobicContact CE1-CG2 3.46Å; F148-T150 VanDerWaalsContact CE1-CG2 3.46Å; F148-T150 HydrophobicContact CZ-CG2 3.89Å; F148-L181 HydrophobicContact CD1-CD1 4.1Å; F148-L181 HydrophobicContact CD2-CB 4.5Å; F148-L181 HydrophobicContact CE1-CD1 4.21Å; F148-L181 HydrophobicContact CE1-CD2 4.06Å; F148-L181 HydrophobicContact CE2-CD2 4.14Å; F148-L181 HydrophobicContact CG-CD1 4.46Å; F148-L181 HydrophobicContact CZ-CD2 3.81Å |
| 149 | A | 86.7 | Confident | 87.9 | Confident | 55 Ų | 55 | 49 Ų | 49 | 46% | 0.455 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 132.8 | 179 | 0 | 0 | 0 | 0 | 0 | 109.7 | F140 Q141 | F140-A149 WeakPolarHBondContact O-CA 3.39Å; Q141-A149 HydrophobicContact CG-CB 4.04Å |
| 150 | T | 85.5 | Confident | 88 | Confident | 12 Ų | 12 | 47.9 Ų | 47.9 | 7% | 0.074 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 160.7 | 179.6 | -170.8 | 0 | 0 | 0 | 0 | 109.9 | F140 F148 Q221 T223 | F140-T150 HydrophobicContact CB-CG2 4Å; F140-T150 HydrophobicContact CD1-CG2 3.87Å; F140-T150 HydrophobicContact CG-CG2 4.31Å; F140-T150 PolarHBondContact N-O 3.29Å; F140-T150 PolarHBondContact O-N 3.28Å; F148-T150 HydrophobicContact CD1-CG2 4.45Å; F148-T150 HydrophobicContact CE1-CG2 3.46Å; F148-T150 VanDerWaalsContact CE1-CG2 3.46Å; F148-T150 HydrophobicContact CZ-CG2 3.89Å; T150-Q221 VanDerWaalsContact OG1-C 3.27Å; T150-Q221 PolarHBondContact OG1-O 2.66Å; T150-T223 WeakPolarHBondContact CG2-OG1 3.49Å; T150-T223 PolarHBondContact OG1-OG1 2.99Å |
| 151 | T | 86.8 | Confident | 88 | Confident | 16 Ų | 16 | 57.6 Ų | 57.6 | 10% | 0.098 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 121.7 | 166.3 | -55.9 | 0 | 0 | 0 | 0 | 108.8 | L137 F138 Q221 M222 T223 | L137-T151 HydrophobicContact CD2-CG2 3.93Å; F138-T151 CarbonylContact O-C 3.53Å; F138-T151 WeakPolarHBondContact O-CA 3.36Å; T151-Q221 PolarHBondContact N-O 3.48Å; T151-M222 HydrophobicContact CG2-CE 4.47Å; T151-M222 WeakPolarHBondContact O-CA 3.36Å; T151-T223 PolarHBondContact O-N 3.12Å |
| 152 | L | 89.5 | Confident | 88.2 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 119.6 | 177.1 | 176.1 | 66.7 | 0 | 0 | 0 | 109.8 | L137 F138 F140 V154 L173 I175 T223 G225 | L137-L152 WeakPolarHBondContact CA-O 3.5Å; F138-L152 HydrophobicContact CB-CB 4.13Å; F138-L152 HydrophobicContact CB-CD2 4.45Å; F138-L152 PolarHBondContact N-O 3.1Å; F138-L152 PolarHBondContact O-N 3.25Å; F140-L152 HydrophobicContact CB-CB 3.9Å; F140-L152 HydrophobicContact CD2-CD2 4.26Å; L152-V154 HydrophobicContact CD2-CG2 4.45Å; L152-V154 HydrophobicContact CG-CG2 4.12Å; L152-L173 HydrophobicContact CD2-CD1 4.09Å; L152-L173 HydrophobicContact CD2-CD2 3.7Å; L152-L173 HydrophobicContact CD2-CG 3.9Å; L152-I175 HydrophobicContact CD1-CB 4.34Å; L152-I175 HydrophobicContact CD1-CG2 3.77Å; L152-I175 HydrophobicContact CD2-CG2 4.22Å; L152-T223 WeakPolarHBondContact CA-O 3.47Å; L152-G225 VanDerWaalsContact CD1-CA 3.46Å |
| 153 | Y | 87 | Confident | 88.5 | Confident | 40 Ų | 40 | 59.2 Ų | 59.2 | 16% | 0.157 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 122 | 177.9 | 174.5 | -84 | 0 | 0 | 0 | 110.2 | R135 L137 M155 W215 T223 A224 G225 | R135-Y153 VanDerWaalsContact CD-CE2 3.45Å; R135-Y153 HydrophobicContact CG-CD2 4.16Å; R135-Y153 HydrophobicContact CG-CE2 3.53Å; R135-Y153 VanDerWaalsContact NE-CE2 3.27Å; L137-Y153 HydrophobicContact CD2-CD2 3.77Å; L137-Y153 HydrophobicContact CD2-CG 4.36Å; Y153-M155 HydrophobicContact CE1-CB 3.63Å; Y153-W215 HydrophobicContact CD1-CZ3 4.46Å; Y153-W215 HydrophobicContact CE1-CH2 4.07Å; Y153-W215 AromaticContact CE1-CZ3 3.64Å; Y153-W215 HydrophobicContact CE1-CZ3 3.64Å; Y153-T223 PolarHBondContact N-O 2.9Å; Y153-A224 CarbonylContact O-C 3.58Å; Y153-G225 PolarHBondContact O-N 3.45Å |
| 154 | V | 91.2 | Very high | 88.9 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 130.1 | 179.1 | -173.4 | 0 | 0 | 0 | 0 | 108.7 | R135 L136 F138 L152 F156 L173 | R135-V154 CarbonylContact C-O 3.59Å; R135-V154 WeakPolarHBondContact CA-O 3.49Å; L136-V154 HydrophobicContact CB-CB 4.41Å; L136-V154 PolarHBondContact N-O 2.79Å; L136-V154 PolarHBondContact O-N 2.99Å; F138-V154 HydrophobicContact CD2-CG2 3.77Å; F138-V154 HydrophobicContact CE2-CB 4.07Å; F138-V154 HydrophobicContact CE2-CG2 3.59Å; L152-V154 HydrophobicContact CD2-CG2 4.45Å; L152-V154 HydrophobicContact CG-CG2 4.12Å; V154-F156 HydrophobicContact CG1-CD2 4.3Å; V154-F156 HydrophobicContact CG1-CE1 3.82Å; V154-F156 HydrophobicContact CG1-CE2 3.49Å; V154-F156 VanDerWaalsContact CG1-CE2 3.49Å; V154-F156 HydrophobicContact CG1-CZ 3.2Å; V154-L173 HydrophobicContact CG1-CD1 4.43Å; V154-L173 HydrophobicContact CG2-CD1 3.55Å |
| 155 | M | 90.5 | Very high | 89.5 | Confident | 48 Ų | 48 | 47.6 Ų | 47.6 | 24% | 0.236 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 135 | 175 | -178.8 | 173.7 | 178.3 | 0 | 0 | 109.7 | K133 I134 Y153 W215 | K133-M155 HydrophobicContact CB-CE 4.31Å; K133-M155 HydrophobicContact CD-CE 3.74Å; K133-M155 HydrophobicContact CG-CE 4.19Å; I134-M155 VanDerWaalsContact O-CA 3.31Å; I134-M155 WeakPolarHBondContact O-CA 3.23Å; Y153-M155 HydrophobicContact CE1-CB 3.63Å; M155-W215 HydrophobicContact SD-CH2 3.77Å |
| 156 | F | 92.6 | Very high | 90.3 | Very high | 14 Ų | 14 | 44.6 Ų | 44.6 | 6% | 0.061 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 139.3 | 169.9 | -54 | -62.8 | 0 | 0 | 0 | 108.8 | K133 I134 L136 V154 W167 I169 L227 L251 | K133-F156 CarbonylContact C-O 3.46Å; K133-F156 WeakPolarHBondContact CA-O 3.43Å; I134-F156 HydrophobicContact CG2-CB 3.8Å; I134-F156 HydrophobicContact CG2-CD2 3.85Å; I134-F156 HydrophobicContact CG2-CG 4.33Å; I134-F156 PolarHBondContact N-O 3.41Å; I134-F156 PolarHBondContact O-N 2.88Å; L136-F156 HydrophobicContact CD1-CE2 4.36Å; V154-F156 HydrophobicContact CG1-CD2 4.3Å; V154-F156 HydrophobicContact CG1-CE1 3.82Å; V154-F156 HydrophobicContact CG1-CE2 3.49Å; V154-F156 VanDerWaalsContact CG1-CE2 3.49Å; V154-F156 HydrophobicContact CG1-CZ 3.2Å; F156-W167 HydrophobicContact CB-CH2 3.78Å; F156-W167 HydrophobicContact CB-CZ2 3.8Å; F156-W167 WeakPolarHBondContact O-CH2 3.21Å; F156-I169 HydrophobicContact CB-CD1 3.77Å; F156-I169 HydrophobicContact CD1-CG2 4.45Å; F156-I169 HydrophobicContact CD2-CD1 3.7Å; F156-I169 HydrophobicContact CD2-CG2 4.21Å; F156-I169 HydrophobicContact CE1-CG2 4.4Å; F156-I169 HydrophobicContact CE2-CG2 4.14Å; F156-I169 HydrophobicContact CG-CD1 3.84Å; F156-I169 HydrophobicContact CG-CG2 4.36Å; F156-I169 HydrophobicContact CZ-CG2 4.23Å; F156-L227 HydrophobicContact CD1-CD1 4.24Å; F156-L227 HydrophobicContact CE1-CB 4.49Å; F156-L227 HydrophobicContact CE1-CD1 3.26Å; F156-L227 HydrophobicContact CE1-CG 3.54Å; F156-L227 HydrophobicContact CE2-CD1 4.3Å; F156-L227 HydrophobicContact CZ-CD1 3.29Å; F156-L227 HydrophobicContact CZ-CD2 4.18Å; F156-L227 HydrophobicContact CZ-CG 3.55Å; F156-L251 HydrophobicContact CE2-CD2 4.25Å; F156-L251 HydrophobicContact CZ-CD2 4.18Å |
| 157 | D | 92.2 | Very high | 91 | Very high | 106 Ų | 106 | 44.5 Ų | 44.5 | 57% | 0.567 | 25% | 0.25 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 141.9 | 173.8 | 65.4 | -53 | 0 | 0 | 0 | 109.8 | A132 K133 | A132-D157 WeakPolarHBondContact O-CA 3.32Å; K133-D157 HydrophobicContact CD-CB 4.43Å; K133-D157 HydrophobicContact CG-CB 3.78Å |
| 158 | H | 93.3 | Very high | 91.6 | Very high | 48 Ų | 48 | 42.2 Ų | 42.2 | 22% | 0.222 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 137.9 | 174.2 | -174.9 | 79.2 | 0 | 0 | 0 | 109.3 | A131 A132 W167 W234 | A131-H158 CarbonylContact C-O 3.04Å; A131-H158 WeakPolarHBondContact CA-O 3.42Å; A131-H158 WeakPolarHBondContact CB-O 3.46Å; A132-H158 PolarHBondContact N-O 2.91Å; A132-H158 PolarHBondContact O-N 2.79Å; H158-W167 HydrophobicContact CB-CZ2 3.83Å; H158-W234 HydrophobicContact CB-CE3 4.4Å; H158-W234 AromaticContact CD2-CD2 3.31Å; H158-W234 AromaticContact CD2-CE3 3.15Å; H158-W234 AromaticContact CD2-CG 3.67Å; H158-W234 AromaticContact CD2-CZ3 3.73Å; H158-W234 AromaticContact CG-CE3 3.91Å; H158-W234 VanDerWaalsContact NE2-CB 3.34Å; H158-W234 WeakPolarHBondContact NE2-CB 3.42Å; H158-W234 AromaticContact NE2-CD1 3.98Å; H158-W234 AromaticContact NE2-CD2 3.53Å; H158-W234 AromaticContact NE2-CE3 3.85Å; H158-W234 AromaticContact NE2-CG 3.33Å; H158-W234 VanDerWaalsContact NE2-CG 3.33Å |
| 159 | G | 92.3 | Very high | 92.1 | Very high | 57 Ų | 57 | 40.5 Ų | 40.5 | 59% | 0.588 | 23% | 0.233 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 131.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 160 | S | 92.4 | Very high | 92.6 | Very high | 37 Ų | 37 | 39.4 Ų | 39.4 | 26% | 0.259 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 151.3 | -179.6 | -178.3 | 0 | 0 | 0 | 0 | 110.5 | Y130 V162 | Y130-S160 PolarHBondContact O-N 2.82Å; S160-V162 PolarHBondContact OG-N 2.83Å; S160-V162 VanDerWaalsContact OG-N 3.13Å; S160-V162 PolarHBondContact OG-O 3.17Å |
| 161 | F | 91.6 | Very high | 93 | Very high | 205 Ų | 205 | 39 Ų | 39 | 90% | 0.899 | 22% | 0.22 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -77.3 | -12 | 170.6 | -62.5 | -74.8 | 0 | 0 | 0 | 112.5 | ||
| 162 | V | 93.2 | Very high | 93.4 | Very high | 82 Ų | 82 | 40.7 Ų | 40.7 | 50% | 0.497 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 133.6 | -178.7 | -173.6 | 0 | 0 | 0 | 0 | 109 | S160 G164 W234 P236 | S160-V162 PolarHBondContact OG-N 2.83Å; S160-V162 VanDerWaalsContact OG-N 3.13Å; S160-V162 PolarHBondContact OG-O 3.17Å; V162-G164 PolarHBondContact O-N 3.37Å; V162-W234 PolarHBondContact O-NE1 3.29Å; V162-P236 HydrophobicContact CG1-CB 4Å |
| 163 | S | 94.2 | Very high | 93.6 | Very high | 14 Ų | 14 | 41 Ų | 41 | 10% | 0.098 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -52.8 | 135.8 | 173.6 | 178.8 | 0 | 0 | 0 | 0 | 110.4 | I129 P236 G237 | I129-S163 CarbonylContact O-C 3.55Å; I129-S163 VanDerWaalsContact O-CA 3.23Å; I129-S163 WeakPolarHBondContact O-CA 3.48Å; S163-P236 WeakPolarHBondContact O-CA 2.97Å; S163-G237 CarbonylContact C-O 3.47Å; S163-G237 VanDerWaalsContact CB-O 3.27Å; S163-G237 WeakPolarHBondContact CB-O 3.42Å; S163-G237 PolarHBondContact O-N 3.05Å; S163-G237 PolarHBondContact OG-O 3.01Å |
| 164 | G | 94.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 154.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I129 V162 W234 T235 G237 A239 F245 | I129-G164 PolarHBondContact O-N 3.15Å; V162-G164 PolarHBondContact O-N 3.37Å; G164-W234 VanDerWaalsContact CA-CE2 3.49Å; G164-T235 VanDerWaalsContact CA-O 3.29Å; G164-T235 WeakPolarHBondContact CA-O 3.45Å; G164-G237 CarbonylContact C-O 3.52Å; G164-G237 VanDerWaalsContact C-O 3.23Å; G164-G237 PolarHBondContact N-O 2.86Å; G164-A239 WeakPolarHBondContact O-CB 3.05Å; G164-F245 WeakPolarHBondContact O-CD2 2.95Å |
| 165 | C | 94.9 | Very high | 93.8 | Very high | 24 Ų | 24 | 42.3 Ų | 42.3 | 16% | 0.162 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | -20.5 | 166.7 | 60.6 | 0 | 0 | 0 | 0 | 112.8 | T235 F245 D246 | C165-T235 PolarHBondContact N-O 3.5Å; C165-F245 WeakPolarHBondContact O-CA 3.41Å; C165-D246 PolarHBondContact O-N 2.75Å |
| 166 | E | 96 | Very high | 93.7 | Very high | 59 Ų | 59 | 43.4 Ų | 43.4 | 28% | 0.276 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 142.3 | -179.5 | 176.2 | -175.9 | -167.7 | 0 | 0 | 110.5 | T235 D246 N248 | E166-T235 PolarHBondContact O-N 2.79Å; E166-D246 CarbonylContact C-O 3.57Å; E166-D246 WeakPolarHBondContact CA-O 3.29Å; E166-D246 HydrophobicContact CB-CB 4.4Å; E166-D246 HydrophobicContact CG-CB 4.23Å; E166-N248 PolarHBondContact OE1-ND2 2.86Å |
| 167 | W | 96.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 114.4 | 171.7 | -177.2 | 27.2 | 0 | 0 | 0 | 110.1 | A132 I134 F156 H158 I169 L232 W234 F245 D246 V247 N248 | A132-W167 HydrophobicContact CB-CD2 4.21Å; A132-W167 HydrophobicContact CB-CE3 3.44Å; A132-W167 VanDerWaalsContact CB-CE3 3.44Å; A132-W167 HydrophobicContact CB-CH2 4.3Å; A132-W167 HydrophobicContact CB-CZ3 3.5Å; I134-W167 HydrophobicContact CB-CZ3 4.18Å; I134-W167 HydrophobicContact CG2-CH2 3.75Å; I134-W167 HydrophobicContact CG2-CZ3 3.74Å; F156-W167 HydrophobicContact CB-CH2 3.78Å; F156-W167 HydrophobicContact CB-CZ2 3.8Å; F156-W167 WeakPolarHBondContact O-CH2 3.21Å; H158-W167 HydrophobicContact CB-CZ2 3.83Å; W167-I169 HydrophobicContact CD2-CD1 4.01Å; W167-I169 HydrophobicContact CD2-CG1 4.3Å; W167-I169 HydrophobicContact CE3-CD1 4.32Å; W167-I169 HydrophobicContact CH2-CD1 3.88Å; W167-I169 HydrophobicContact CZ2-CD1 3.49Å; W167-I169 VanDerWaalsContact CZ2-CD1 3.49Å; W167-I169 HydrophobicContact CZ2-CG1 4.08Å; W167-I169 HydrophobicContact CZ3-CD1 4.26Å; W167-L232 HydrophobicContact CZ2-CD2 4.37Å; W167-W234 HydrophobicContact CB-CE3 3.88Å; W167-W234 HydrophobicContact CB-CZ3 3.94Å; W167-W234 AromaticContact CG-CE3 3.94Å; W167-W234 HydrophobicContact CG-CE3 3.94Å; W167-W234 HydrophobicContact CG-CZ3 4.1Å; W167-F245 HydrophobicContact CB-CE1 4.32Å; W167-F245 HydrophobicContact CB-CZ 4.01Å; W167-D246 PolarHBondContact N-O 3.08Å; W167-V247 HydrophobicContact CE3-CG1 4.2Å; W167-V247 HydrophobicContact CE3-CG2 4.41Å; W167-V247 CarbonylContact O-C 3.58Å; W167-V247 WeakPolarHBondContact O-CA 3.42Å; W167-N248 PolarHBondContact O-N 2.98Å |
| 168 | S | 96.8 | Very high | 92.6 | Very high | 34 Ų | 34 | 46 Ų | 46 | 24% | 0.238 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 132.8 | 177.9 | -171.6 | 0 | 0 | 0 | 0 | 111.2 | Y233 N248 | S168-Y233 PolarHBondContact N-O 2.96Å; S168-Y233 PolarHBondContact O-N 3.37Å; S168-N248 CarbonylContact C-O 3.48Å; S168-N248 WeakPolarHBondContact CA-O 3.23Å |
| 169 | I | 96.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 120.4 | 178.8 | -57.7 | 163.2 | 0 | 0 | 0 | 108 | I134 F156 W167 L227 E231 L232 N248 I249 V250 | I134-I169 HydrophobicContact CG2-CD1 4.16Å; F156-I169 HydrophobicContact CB-CD1 3.77Å; F156-I169 HydrophobicContact CD1-CG2 4.45Å; F156-I169 HydrophobicContact CD2-CD1 3.7Å; F156-I169 HydrophobicContact CD2-CG2 4.21Å; F156-I169 HydrophobicContact CE1-CG2 4.4Å; F156-I169 HydrophobicContact CE2-CG2 4.14Å; F156-I169 HydrophobicContact CG-CD1 3.84Å; F156-I169 HydrophobicContact CG-CG2 4.36Å; F156-I169 HydrophobicContact CZ-CG2 4.23Å; W167-I169 HydrophobicContact CD2-CD1 4.01Å; W167-I169 HydrophobicContact CD2-CG1 4.3Å; W167-I169 HydrophobicContact CE3-CD1 4.32Å; W167-I169 HydrophobicContact CH2-CD1 3.88Å; W167-I169 HydrophobicContact CZ2-CD1 3.49Å; W167-I169 VanDerWaalsContact CZ2-CD1 3.49Å; W167-I169 HydrophobicContact CZ2-CG1 4.08Å; W167-I169 HydrophobicContact CZ3-CD1 4.26Å; I169-L227 HydrophobicContact CG2-CD1 3.51Å; I169-E231 CarbonylContact C-O 3.49Å; I169-E231 WeakPolarHBondContact CA-O 3.44Å; I169-L232 HydrophobicContact CG1-CD2 4.31Å; I169-N248 PolarHBondContact N-O 3.26Å; I169-I249 HydrophobicContact CB-CB 4.47Å; I169-I249 HydrophobicContact CB-CG1 4.14Å; I169-I249 HydrophobicContact CB-CG2 4.17Å; I169-I249 HydrophobicContact CD1-CD1 3.88Å; I169-I249 HydrophobicContact CD1-CG1 3.92Å; I169-I249 HydrophobicContact CG1-CG1 4.42Å; I169-I249 HydrophobicContact CG2-CG2 4.36Å; I169-I249 CarbonylContact O-C 3.5Å; I169-I249 VanDerWaalsContact O-CA 3.29Å; I169-I249 WeakPolarHBondContact O-CA 3.41Å; I169-V250 PolarHBondContact O-N 3.29Å |
| 170 | S | 96.1 | Very high | 91.7 | Very high | 31 Ų | 31 | 45.4 Ų | 45.4 | 22% | 0.217 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 147.6 | 172.3 | 42.7 | 0 | 0 | 0 | 0 | 111.1 | E231 V250 | S170-E231 PolarHBondContact N-O 3.07Å; S170-E231 WeakPolarHBondContact O-CB 2.99Å; S170-E231 PolarHBondContact O-N 3.27Å; S170-E231 WeakPolarHBondContact OG-CB 3.49Å; S170-E231 PolarHBondContact OG-OE2 2.7Å; S170-V250 WeakPolarHBondContact CA-O 3.41Å |
| 171 | G | 95.4 | Very high | 91.4 | Very high | 4 Ų | 4 | 44.4 Ų | 44.4 | 4% | 0.041 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 163.3 | 174.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114 | P229 V250 L251 N252 | G171-P229 WeakPolarHBondContact CA-O 3.46Å; G171-V250 PolarHBondContact N-O 2.75Å; G171-L251 WeakPolarHBondContact O-CA 3.47Å; G171-N252 PolarHBondContact O-N 2.81Å |
| 172 | N | 94.7 | Very high | 90.8 | Very high | 51 Ų | 51 | 38.1 Ų | 38.1 | 27% | 0.273 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 125.5 | 175.8 | -55.3 | -19.3 | 0 | 0 | 0 | 109.6 | K174 L227 N228 N252 A254 | N172-K174 PolarHBondContact O-N 3.45Å; N172-L227 WeakPolarHBondContact O-CA 3.48Å; N172-N228 WeakPolarHBondContact CB-O 3.37Å; N172-N228 PolarHBondContact O-N 2.85Å; N172-N252 CarbonylContact C-O 3.53Å; N172-N252 WeakPolarHBondContact CA-O 3.39Å; N172-N252 WeakPolarHBondContact OD1-CB 3.24Å; N172-N252 PolarHBondContact OD1-ND2 3.16Å; N172-A254 HydrophobicContact CB-CB 4.16Å |
| 173 | L | 93.6 | Very high | 89.9 | Confident | 7 Ų | 7 | 34.9 Ų | 34.9 | 4% | 0.037 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 125.6 | -178.8 | -176 | 58.6 | 0 | 0 | 0 | 110.2 | I59 F138 L152 V154 N252 Y253 | I59-L173 HydrophobicContact CD1-CD2 3.85Å; I59-L173 HydrophobicContact CD1-CG 4.33Å; I59-L173 HydrophobicContact CG2-CD2 4.06Å; F138-L173 HydrophobicContact CD1-CD2 4.43Å; F138-L173 HydrophobicContact CD2-CD2 4.36Å; F138-L173 HydrophobicContact CE1-CD2 4.45Å; F138-L173 HydrophobicContact CE2-CD2 4.39Å; F138-L173 HydrophobicContact CG-CD2 4.41Å; F138-L173 HydrophobicContact CZ-CD2 4.46Å; L152-L173 HydrophobicContact CD2-CD1 4.09Å; L152-L173 HydrophobicContact CD2-CD2 3.7Å; L152-L173 HydrophobicContact CD2-CG 3.9Å; V154-L173 HydrophobicContact CG1-CD1 4.43Å; V154-L173 HydrophobicContact CG2-CD1 3.55Å; L173-N252 PolarHBondContact N-O 2.71Å; L173-Y253 HydrophobicContact CB-CD1 4.28Å; L173-Y253 HydrophobicContact CD2-CD1 4.02Å; L173-Y253 HydrophobicContact CD2-CE1 3.84Å |
| 174 | K | 91.9 | Very high | 88.7 | Confident | 61 Ų | 61 | 40.6 Ų | 40.6 | 27% | 0.265 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 139.4 | -176.9 | 175.5 | 161 | -171.2 | 125.1 | 0 | 110.4 | N172 G225 T226 N228 D256 | N172-K174 PolarHBondContact O-N 3.45Å; K174-G225 CarbonylContact O-C 3.58Å; K174-G225 WeakPolarHBondContact O-CA 3.46Å; K174-T226 HydrophobicContact CB-CG2 4.05Å; K174-T226 HydrophobicContact CG-CG2 4.2Å; K174-T226 PolarHBondContact N-O 3.22Å; K174-T226 PolarHBondContact O-N 3.18Å; K174-T226 VanDerWaalsContact O-O 3.09Å; K174-N228 HydrophobicContact CD-CB 4.02Å; K174-D256 WeakPolarHBondContact CD-OD2 3.49Å; K174-D256 WeakPolarHBondContact CE-OD2 3.43Å; K174-D256 VanDerWaalsContact CG-OD2 3.25Å; K174-D256 WeakPolarHBondContact CG-OD2 3.37Å; K174-D256 VanDerWaalsContact NZ-CG 3.28Å; K174-D256 IonicContact NZ-OD1 2.66Å; K174-D256 PolarHBondContact NZ-OD1 3.36Å; K174-D256 IonicContact NZ-OD2 2.85Å; K174-D256 PolarHBondContact NZ-OD2 3.22Å |
| 175 | I | 89.9 | Confident | 86.8 | Confident | 7 Ų | 7 | 48.7 Ų | 48.7 | 4% | 0.036 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 144.5 | 173.9 | 74.6 | 178.1 | 0 | 0 | 0 | 110.4 | F140 L152 Q177 L181 T223 Y258 | F140-I175 HydrophobicContact CD2-CG2 3.8Å; F140-I175 HydrophobicContact CE1-CD1 4.1Å; F140-I175 HydrophobicContact CE1-CG2 4.39Å; F140-I175 HydrophobicContact CE2-CG2 3.53Å; F140-I175 HydrophobicContact CG-CG2 4.36Å; F140-I175 HydrophobicContact CZ-CD1 3.92Å; F140-I175 HydrophobicContact CZ-CG2 3.86Å; L152-I175 HydrophobicContact CD1-CB 4.34Å; L152-I175 HydrophobicContact CD1-CG2 3.77Å; L152-I175 HydrophobicContact CD2-CG2 4.22Å; I175-Q177 HydrophobicContact CD1-CG 3.82Å; I175-Q177 HydrophobicContact CG1-CG 3.7Å; I175-L181 HydrophobicContact CD1-CD1 4.15Å; I175-T223 HydrophobicContact CB-CG2 4.15Å; I175-Y258 HydrophobicContact CD1-CD1 3.71Å; I175-Y258 HydrophobicContact CD1-CE1 3.7Å; I175-Y258 HydrophobicContact CG1-CD1 4.16Å; I175-Y258 HydrophobicContact CG1-CE1 3.9Å |
| 176 | V | 88.5 | Confident | 84.8 | Confident | 70 Ų | 70 | 51.6 Ų | 51.6 | 42% | 0.424 | 30% | 0.297 | S | S | . | . | trans | -90.1 | 105.3 | 172.6 | -178.6 | 0 | 0 | 0 | 0 | 108.2 | A224 T226 | V176-A224 HydrophobicContact CB-CB 4.26Å; V176-A224 WeakPolarHBondContact CB-O 3.33Å; V176-A224 HydrophobicContact CG2-CB 4.46Å; V176-A224 PolarHBondContact N-O 3.4Å; V176-T226 HydrophobicContact CG2-CG2 3.8Å | ||
| 177 | Q | 83.2 | Confident | 82.4 | Confident | 57 Ų | 57 | 56 Ų | 56 | 27% | 0.266 | 32% | 0.322 | S | S | . | . | trans | -91.3 | 115.2 | 178.4 | -56 | -171.3 | -54.1 | 0 | 0 | 110.3 | I175 G179 L181 S259 | I175-Q177 HydrophobicContact CD1-CG 3.82Å; I175-Q177 HydrophobicContact CG1-CG 3.7Å; Q177-G179 VanDerWaalsContact C-N 3.32Å; Q177-L181 VanDerWaalsContact NE2-CD1 3.28Å; Q177-S259 VanDerWaalsContact OE1-N 3.16Å | ||
| 178 | S | 79.2 | Confident | 79.8 | Confident | 118 Ų | 118 | 64 Ų | 64 | 83% | 0.825 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -78.2 | -19.3 | 170.9 | -59.1 | 0 | 0 | 0 | 0 | 113 | ||
| 179 | G | 82.6 | Confident | 77.6 | Confident | 37 Ų | 37 | 66.6 Ų | 66.6 | 38% | 0.381 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -166.1 | 178.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q177 | Q177-G179 VanDerWaalsContact C-N 3.32Š|
| 180 | P | 84 | Confident | 74.9 | Confident | 55 Ų | 55 | 72.3 Ų | 72.3 | 36% | 0.357 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 138.6 | -179.9 | 31.3 | -36.5 | 0 | 0 | 0 | 110.7 | V50 T182 S259 V261 | V50-P180 HydrophobicContact CB-CB 4.47Å; V50-P180 HydrophobicContact CG1-CB 3.82Å; V50-P180 HydrophobicContact CG2-CB 3.79Å; V50-P180 HydrophobicContact CG2-CG 3.79Å; P180-T182 PolarHBondContact O-N 3.16Å; P180-S259 CarbonylContact C-O 3.6Å; P180-S259 WeakPolarHBondContact CA-O 3.33Å; P180-V261 HydrophobicContact CB-CG2 3.74Å; P180-V261 HydrophobicContact CG-CG2 3.69Å |
| 181 | L | 85 | Confident | 72.6 | Confident | 17 Ų | 17 | 75.4 Ų | 75.4 | 9% | 0.089 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 126.3 | 176.8 | -57.2 | 175.1 | 0 | 0 | 0 | 109.5 | L142 F148 I175 Q177 C183 S259 I260 V261 | L142-L181 HydrophobicContact CD1-CD1 3.72Å; F148-L181 HydrophobicContact CD1-CD1 4.1Å; F148-L181 HydrophobicContact CD2-CB 4.5Å; F148-L181 HydrophobicContact CE1-CD1 4.21Å; F148-L181 HydrophobicContact CE1-CD2 4.06Å; F148-L181 HydrophobicContact CE2-CD2 4.14Å; F148-L181 HydrophobicContact CG-CD1 4.46Å; F148-L181 HydrophobicContact CZ-CD2 3.81Å; I175-L181 HydrophobicContact CD1-CD1 4.15Å; Q177-L181 VanDerWaalsContact NE2-CD1 3.28Å; L181-C183 PolarHBondContact O-N 3.01Å; L181-S259 PolarHBondContact N-O 3.33Å; L181-I260 HydrophobicContact CB-CG2 4.21Å; L181-I260 CarbonylContact O-C 3.55Å; L181-I260 WeakPolarHBondContact O-CA 3.44Å; L181-V261 PolarHBondContact O-N 3.22Å |
| 182 | T | 78.6 | Confident | 70.2 | Confident | 72 Ų | 72 | 76.8 Ų | 76.8 | 44% | 0.442 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 117.4 | 174.1 | -56.9 | 0 | 0 | 0 | 0 | 109.5 | P180 E184 | P180-T182 PolarHBondContact O-N 3.16Å; T182-E184 HydrophobicContact CG2-CB 4.15Å; T182-E184 HydrophobicContact CG2-CG 3.72Å; T182-E184 PolarHBondContact O-N 3.21Å |
| 183 | C | 75.4 | Confident | 67.9 | Low | 14 Ų | 14 | 77.7 Ų | 77.7 | 10% | 0.095 | 45% | 0.447 | C | S | . | . | trans | -83 | 70.5 | 173.2 | -51.5 | 0 | 0 | 0 | 0 | 109.8 | C146 L181 V261 | C146-C183 HydrophobicContact CB-CB 4.06Å; C146-C183 WeakPolarHBondContact CB-SG 3.38Å; C146-C183 WeakPolarHBondContact SG-CA 3.44Å; C146-C183 WeakPolarHBondContact SG-CB 3.48Å; C146-C183 CovalentContact SG-SG 2.03Å; C146-C183 PolarHBondContact SG-SG 3.49Å; L181-C183 PolarHBondContact O-N 3.01Å; C183-V261 PolarHBondContact N-O 2.95Å; C183-V261 PolarHBondContact SG-O 3.31Å | ||
| 184 | E | 68.4 | Low | 65.7 | Low | 134 Ų | 134 | 84.2 Ų | 84.2 | 63% | 0.626 | 48% | 0.477 | S | S | * | . | trans | -99.6 | 151.2 | 168 | -85.8 | 174 | -167.5 | 0 | 0 | 110 | T182 | T182-E184 HydrophobicContact CG2-CB 4.15Å; T182-E184 HydrophobicContact CG2-CG 3.72Å; T182-E184 PolarHBondContact O-N 3.21Å | ||
| 185 | E | 55.7 | Low | 63.5 | Low | 171 Ų | 171 | 85.8 Ų | 85.8 | 80% | 0.799 | 48% | 0.484 | S | S | * | . | trans | -57.5 | 136 | 173.6 | -70.7 | -176.3 | 171.5 | 0 | 0 | 109 | L187 | E185-L187 PolarHBondContact O-N 3.44Š| ||
| 186 | P | 51.6 | Low | 61.5 | Low | 85 Ų | 85 | 88.2 Ų | 88.2 | 55% | 0.552 | 50% | 0.496 | S | S | * | . | trans | -55.4 | 114.9 | -179.6 | 19.9 | -30.2 | 0 | 0 | 0 | 108.9 | N147 Q188 | N147-P186 WeakPolarHBondContact ND2-CD 3.2Å; P186-Q188 PolarHBondContact O-N 3.28Å | ||
| 187 | L | 46.6 | Very low | 59.5 | Low | 152 Ų | 152 | 89.3 Ų | 89.3 | 80% | 0.796 | 50% | 0.499 | S | S | * | . | trans | -51.6 | 130.4 | 166.3 | -100.2 | 95.2 | 0 | 0 | 0 | 107.2 | E185 S189 | E185-L187 PolarHBondContact O-N 3.44Å; L187-S189 PolarHBondContact O-N 3.49Å | ||
| 188 | Q | 42.5 | Very low | 57.7 | Low | 168 Ų | 168 | 91.4 Ų | 91.4 | 79% | 0.785 | 51% | 0.512 | S | S | * | . | trans | -39.2 | 132.6 | -177 | -77.1 | 166.3 | -13.2 | 0 | 0 | 112.4 | P186 D190 | P186-Q188 PolarHBondContact O-N 3.28Å; Q188-D190 PolarHBondContact O-N 3.06Å | ||
| 189 | S | 49.5 | Very low | 56.2 | Low | 88 Ų | 88 | 87.5 Ų | 87.5 | 62% | 0.615 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -1.5 | -169.9 | 51.9 | 0 | 0 | 0 | 0 | 116.7 | L187 T191 A192 | L187-S189 PolarHBondContact O-N 3.49Å; S189-T191 VanDerWaalsContact C-N 3.25Å; S189-T191 PolarHBondContact O-N 3.43Å; S189-A192 WeakPolarHBondContact O-CB 3.29Å; S189-A192 PolarHBondContact O-N 3.04Å; S189-A192 VanDerWaalsContact O-N 3.12Å |
| 190 | D | 41.3 | Very low | 54.7 | Low | 120 Ų | 120 | 88.8 Ų | 88.8 | 64% | 0.642 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -69.5 | -24.2 | -170.2 | -66.6 | -15.3 | 0 | 0 | 0 | 112.8 | Q188 | Q188-D190 PolarHBondContact O-N 3.06Å |
| 191 | T | 45.9 | Very low | 52.9 | Low | 95 Ų | 95 | 91 Ų | 91 | 58% | 0.583 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -88 | -14.5 | 175.3 | 56.6 | 0 | 0 | 0 | 0 | 113.8 | S189 K195 | S189-T191 VanDerWaalsContact C-N 3.25Å; S189-T191 PolarHBondContact O-N 3.43Å; T191-K195 WeakPolarHBondContact O-CB 3.37Å |
| 192 | A | 46.4 | Very low | 51.1 | Low | 34 Ų | 34 | 96.5 Ų | 96.5 | 28% | 0.281 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -77.1 | -37.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S189 M196 | S189-A192 WeakPolarHBondContact O-CB 3.29Å; S189-A192 PolarHBondContact O-N 3.04Å; S189-A192 VanDerWaalsContact O-N 3.12Å; A192-M196 WeakPolarHBondContact O-CB 3.32Å; A192-M196 PolarHBondContact O-N 2.85Å |
| 193 | S | 46.8 | Very low | 49.7 | Very low | 69 Ų | 69 | 94.6 Ų | 94.6 | 48% | 0.483 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -70.5 | -45.1 | -178 | 57.6 | 0 | 0 | 0 | 0 | 112.5 | K195 M196 N197 | S193-K195 VanDerWaalsContact C-N 3.3Å; S193-K195 PolarHBondContact O-N 3.34Å; S193-M196 PolarHBondContact O-N 2.76Å; S193-N197 PolarHBondContact O-N 2.86Å |
| 194 | E | 46.9 | Very low | 48.2 | Very low | 144 Ų | 144 | 94.4 Ų | 94.4 | 67% | 0.673 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.8 | -35.8 | 176.4 | -82.8 | -172.3 | 158.7 | 0 | 0 | 112.2 | N198 | E194-N198 PolarHBondContact O-N 2.85Å; E194-N198 PolarHBondContact O-ND2 2.86Å |
| 195 | K | 46.2 | Very low | 47.1 | Very low | 94 Ų | 94 | 94.2 Ų | 94.2 | 41% | 0.409 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -79.1 | -33 | -178.2 | -152.9 | 171.2 | -176.1 | -169.4 | 0 | 112.8 | T191 S193 N197 N198 L199 N219 | T191-K195 WeakPolarHBondContact O-CB 3.37Å; S193-K195 VanDerWaalsContact C-N 3.3Å; S193-K195 PolarHBondContact O-N 3.34Å; K195-N197 VanDerWaalsContact C-N 3.34Å; K195-N198 PolarHBondContact O-N 2.98Å; K195-L199 WeakPolarHBondContact O-CD1 3.38Å; K195-L199 WeakPolarHBondContact O-CG 3.45Å; K195-L199 PolarHBondContact O-N 2.95Å; K195-N219 PolarHBondContact NZ-OD1 2.96Å |
| 196 | M | 47.1 | Very low | 46.6 | Very low | 59 Ų | 59 | 90.5 Ų | 90.5 | 29% | 0.291 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.5 | -41.1 | 172.1 | -170.7 | 64.6 | 74.9 | 0 | 0 | 111.8 | A192 S193 N198 L199 Q200 M222 | A192-M196 WeakPolarHBondContact O-CB 3.32Å; A192-M196 PolarHBondContact O-N 2.85Å; S193-M196 PolarHBondContact O-N 2.76Å; M196-N198 VanDerWaalsContact C-N 3.31Å; M196-N198 PolarHBondContact O-N 2.84Å; M196-L199 WeakPolarHBondContact O-CB 3.47Å; M196-L199 PolarHBondContact O-N 2.86Å; M196-L199 VanDerWaalsContact O-N 3.16Å; M196-Q200 PolarHBondContact O-N 2.81Å; M196-Q200 VanDerWaalsContact O-N 3.1Å; M196-M222 HydrophobicContact CE-CE 4.31Å; M196-M222 HydrophobicContact SD-CE 3.99Å |
| 197 | N | 46.1 | Very low | 46.3 | Very low | 92 Ų | 92 | 87.5 Ų | 87.5 | 49% | 0.492 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63.6 | -36.1 | 177.2 | -70.3 | -13.8 | 0 | 0 | 0 | 112.4 | S193 K195 Q200 | S193-N197 PolarHBondContact O-N 2.86Å; K195-N197 VanDerWaalsContact C-N 3.34Å; N197-Q200 PolarHBondContact O-N 3.41Å |
| 198 | N | 46.1 | Very low | 46.2 | Very low | 101 Ų | 101 | 84.5 Ų | 84.5 | 54% | 0.54 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -68.4 | -34.8 | 175 | -70.1 | -27 | 0 | 0 | 0 | 112.3 | E194 K195 M196 N201 E202 | E194-N198 PolarHBondContact O-N 2.85Å; E194-N198 PolarHBondContact O-ND2 2.86Å; K195-N198 PolarHBondContact O-N 2.98Å; M196-N198 VanDerWaalsContact C-N 3.31Å; M196-N198 PolarHBondContact O-N 2.84Å; N198-N201 PolarHBondContact O-N 2.03Å; N198-E202 PolarHBondContact O-N 3.04Å |
| 199 | L | 48.2 | Very low | 46.4 | Very low | 37 Ų | 37 | 83.1 Ų | 83.1 | 19% | 0.194 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -70.3 | -32.3 | 177.3 | -74.5 | 156.4 | 0 | 0 | 0 | 113.3 | K195 M196 N201 T203 N219 M222 | K195-L199 WeakPolarHBondContact O-CD1 3.38Å; K195-L199 WeakPolarHBondContact O-CG 3.45Å; K195-L199 PolarHBondContact O-N 2.95Å; M196-L199 WeakPolarHBondContact O-CB 3.47Å; M196-L199 PolarHBondContact O-N 2.86Å; M196-L199 VanDerWaalsContact O-N 3.16Å; L199-N201 VanDerWaalsContact C-N 3.25Å; L199-N201 PolarHBondContact O-N 2.9Å; L199-T203 WeakPolarHBondContact O-CG2 3.42Å; L199-T203 PolarHBondContact O-OG1 3.45Å; L199-N219 WeakPolarHBondContact CD1-ND2 3.34Å; L199-M222 HydrophobicContact CD1-CE 3.79Å; L199-M222 HydrophobicContact CD1-SD 3.89Å; L199-M222 HydrophobicContact CD2-SD 4.3Å |
| 200 | Q | 49.3 | Very low | 46.1 | Very low | 64 Ų | 64 | 81.1 Ų | 81.1 | 30% | 0.299 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -62.8 | -34 | 173 | -75 | -177.6 | -22.8 | 0 | 0 | 111.6 | W86 M196 N197 | W86-Q200 PolarHBondContact NE1-O 2.86Å; M196-Q200 PolarHBondContact O-N 2.81Å; M196-Q200 VanDerWaalsContact O-N 3.1Å; N197-Q200 PolarHBondContact O-N 3.41Å |
| 201 | N | 48.2 | Very low | 46 | Very low | 102 Ų | 102 | 78.5 Ų | 78.5 | 55% | 0.545 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -81.5 | -34.2 | -178.6 | -72.6 | -23.7 | 0 | 0 | 0 | 114.3 | N198 L199 | N198-N201 PolarHBondContact O-N 2.03Å; L199-N201 VanDerWaalsContact C-N 3.25Å; L199-N201 PolarHBondContact O-N 2.9Å |
| 202 | E | 46.6 | Very low | 45.5 | Very low | 131 Ų | 131 | 81.7 Ų | 81.7 | 61% | 0.612 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -85.1 | -18.3 | -172.6 | -76.2 | -168.6 | 161.3 | 0 | 0 | 115.5 | N198 L204 | N198-E202 PolarHBondContact O-N 3.04Å; E202-L204 PolarHBondContact O-N 3.33Å |
| 203 | T | 49 | Very low | 45 | Very low | 32 Ų | 32 | 83 Ų | 83 | 20% | 0.196 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -85.3 | -9.8 | -160.9 | 50.1 | 0 | 0 | 0 | 0 | 116.9 | W86 R135 L199 F207 | W86-T203 WeakPolarHBondContact CZ2-OG1 3.48Å; R135-T203 PolarHBondContact NH1-OG1 3.01Å; L199-T203 WeakPolarHBondContact O-CG2 3.42Å; L199-T203 PolarHBondContact O-OG1 3.45Å; T203-F207 WeakPolarHBondContact O-CB 3.36Å; T203-F207 PolarHBondContact O-N 2.64Å |
| 204 | L | 44.7 | Very low | 44.5 | Very low | 11 Ų | 11 | 91.1 Ų | 91.1 | 6% | 0.058 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -77.7 | -42 | 178.4 | -131.3 | 159.1 | 0 | 0 | 0 | 113 | F79 W86 Q89 E90 E202 R206 F207 Q208 | F79-L204 HydrophobicContact CZ-CD1 4.46Å; W86-L204 HydrophobicContact CB-CD1 3.54Å; W86-L204 HydrophobicContact CD2-CD1 4.4Å; W86-L204 HydrophobicContact CG-CD1 3.65Å; Q89-L204 HydrophobicContact CB-CD1 4.28Å; Q89-L204 VanDerWaalsContact OE1-CD1 3.25Å; E90-L204 HydrophobicContact CG-CD1 4.42Å; E90-L204 HydrophobicContact CG-CD2 4.01Å; E202-L204 PolarHBondContact O-N 3.33Å; L204-R206 PolarHBondContact O-N 3.4Å; L204-F207 WeakPolarHBondContact O-CB 3.14Å; L204-F207 PolarHBondContact O-N 3.24Å; L204-Q208 PolarHBondContact O-N 3.24Å |
| 205 | I | 43.8 | Very low | 44.5 | Very low | 129 Ų | 129 | 91.5 Ų | 91.5 | 66% | 0.662 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -61.7 | -34.9 | 175.1 | -60.5 | 177.2 | 0 | 0 | 0 | 110.3 | Q209 | I205-Q209 WeakPolarHBondContact O-CB 3.44Å; I205-Q209 WeakPolarHBondContact O-CG 3.45Å; I205-Q209 PolarHBondContact O-N 3.36Å |
| 206 | R | 45.4 | Very low | 44.4 | Very low | 94 Ų | 94 | 91.5 Ų | 91.5 | 36% | 0.355 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -72.8 | -40.9 | 172.4 | -66.3 | -103.5 | -141.4 | 168.3 | 7.9 | 111.7 | L204 Q208 Q209 T210 D216 | L204-R206 PolarHBondContact O-N 3.4Å; R206-Q208 PolarHBondContact O-N 3.19Å; R206-Q208 VanDerWaalsContact O-N 3.09Å; R206-Q209 CarbonylContact O-C 3.59Å; R206-Q209 PolarHBondContact O-N 3.17Å; R206-T210 VanDerWaalsContact C-OG1 3.27Å; R206-T210 VanDerWaalsContact O-CB 3.29Å; R206-T210 WeakPolarHBondContact O-CB 3.45Å; R206-T210 PolarHBondContact O-N 3.45Å; R206-T210 PolarHBondContact O-OG1 3.39Å; R206-D216 IonicContact NH2-OD2 2.76Å; R206-D216 PolarHBondContact NH2-OD2 3.26Å |
| 207 | F | 46.7 | Very low | 44.4 | Very low | 21 Ų | 21 | 93.5 Ų | 93.5 | 9% | 0.092 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -53 | -38.1 | -175.9 | -162.3 | -79.1 | 0 | 0 | 0 | 113.2 | I68 K133 R135 T203 L204 | I68-F207 HydrophobicContact CB-CE1 4.12Å; I68-F207 HydrophobicContact CD1-CD1 3.26Å; I68-F207 HydrophobicContact CD1-CE1 3.06Å; I68-F207 HydrophobicContact CD1-CG 4.41Å; I68-F207 HydrophobicContact CD1-CZ 4.04Å; I68-F207 HydrophobicContact CG1-CD1 4.04Å; I68-F207 HydrophobicContact CG1-CE1 3.29Å; I68-F207 HydrophobicContact CG1-CZ 3.87Å; K133-F207 HydrophobicContact CB-CE1 4.43Å; K133-F207 HydrophobicContact CB-CZ 4.29Å; R135-F207 HydrophobicContact CB-CE2 4.24Å; T203-F207 WeakPolarHBondContact O-CB 3.36Å; T203-F207 PolarHBondContact O-N 2.64Å; L204-F207 WeakPolarHBondContact O-CB 3.14Å; L204-F207 PolarHBondContact O-N 3.24Å |
| 208 | Q | 44.5 | Very low | 44.3 | Very low | 90 Ų | 90 | 93.1 Ų | 93.1 | 42% | 0.421 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -83.5 | -34.9 | 175.4 | -62.8 | -169.6 | -6.6 | 0 | 0 | 113.8 | Y77 E90 L204 R206 | Y77-Q208 PolarHBondContact OH-NE2 3.4Å; E90-Q208 PolarHBondContact OE1-NE2 3.22Å; L204-Q208 PolarHBondContact O-N 3.24Å; R206-Q208 PolarHBondContact O-N 3.19Å; R206-Q208 VanDerWaalsContact O-N 3.09Å |
| 209 | Q | 44.7 | Very low | 44.6 | Very low | 139 Ų | 139 | 88.9 Ų | 88.9 | 65% | 0.65 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -87.7 | -8.9 | -175.4 | -66.3 | -178.4 | -7.1 | 0 | 0 | 114.5 | I205 R206 G211 | I205-Q209 WeakPolarHBondContact O-CB 3.44Å; I205-Q209 WeakPolarHBondContact O-CG 3.45Å; I205-Q209 PolarHBondContact O-N 3.36Å; R206-Q209 CarbonylContact O-C 3.59Å; R206-Q209 PolarHBondContact O-N 3.17Å; Q209-G211 PolarHBondContact O-N 3.35Å |
| 210 | T | 44.5 | Very low | 44.9 | Very low | 45 Ų | 45 | 92.4 Ų | 92.4 | 28% | 0.276 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | 42.1 | -178.3 | -48.4 | 0 | 0 | 0 | 0 | 112.2 | R206 N212 T213 | R206-T210 VanDerWaalsContact C-OG1 3.27Å; R206-T210 VanDerWaalsContact O-CB 3.29Å; R206-T210 WeakPolarHBondContact O-CB 3.45Å; R206-T210 PolarHBondContact O-N 3.45Å; R206-T210 PolarHBondContact O-OG1 3.39Å; T210-N212 VanDerWaalsContact C-N 3.31Å; T210-T213 WeakPolarHBondContact CG2-O 3.48Å |
| 211 | G | 38.7 | Very low | 45.6 | Very low | 65 Ų | 65 | 92.4 Ų | 92.4 | 67% | 0.67 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -30.1 | 156.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q209 | Q209-G211 PolarHBondContact O-N 3.35Š|
| 212 | N | 36.5 | Very low | 46.6 | Very low | 163 Ų | 163 | 89.1 Ų | 89.1 | 87% | 0.872 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -134.9 | -11.6 | -168.6 | -75.1 | -17 | 0 | 0 | 0 | 116.3 | T210 R214 | T210-N212 VanDerWaalsContact C-N 3.31Å; N212-R214 PolarHBondContact O-N 2.64Å; N212-R214 VanDerWaalsContact O-N 3.1Å |
| 213 | T | 34.5 | Very low | 48.2 | Very low | 60 Ų | 60 | 83.9 Ų | 83.9 | 37% | 0.368 | 43% | 0.433 | S | S | . | . | trans | -79.6 | 100.9 | 174.4 | 54.1 | 0 | 0 | 0 | 0 | 109.6 | T210 W215 | T210-T213 WeakPolarHBondContact CG2-O 3.48Å; T213-W215 PolarHBondContact O-N 3.4Å | ||
| 214 | R | 37.5 | Very low | 50 | Low | 240 Ų | 240 | 83.9 Ų | 83.9 | 91% | 0.906 | 44% | 0.436 | S | S | * | . | trans | -38.1 | 124.2 | 161.6 | -128.4 | 177 | -169.5 | 172.4 | 2.5 | 108.7 | N212 D216 | N212-R214 PolarHBondContact O-N 2.64Å; N212-R214 VanDerWaalsContact O-N 3.1Å; R214-D216 PolarHBondContact O-N 3.41Å | ||
| 215 | W | 47 | Very low | 52.1 | Low | 153 Ų | 153 | 84 Ų | 84 | 58% | 0.58 | 44% | 0.44 | S | S | * | . | trans | -40.2 | 122 | -177.5 | -54.2 | 91.1 | 0 | 0 | 0 | 111.9 | Y153 M155 T213 L217 | Y153-W215 HydrophobicContact CD1-CZ3 4.46Å; Y153-W215 HydrophobicContact CE1-CH2 4.07Å; Y153-W215 AromaticContact CE1-CZ3 3.64Å; Y153-W215 HydrophobicContact CE1-CZ3 3.64Å; M155-W215 HydrophobicContact SD-CH2 3.77Å; T213-W215 PolarHBondContact O-N 3.4Å; W215-L217 HydrophobicContact CB-CD1 4.06Å; W215-L217 HydrophobicContact CB-CG 4.17Å; W215-L217 PolarHBondContact O-N 2.95Å | ||
| 216 | D | 42.7 | Very low | 54.3 | Low | 94 Ų | 94 | 80.8 Ų | 80.8 | 50% | 0.503 | 43% | 0.427 | S | S | . | . | trans | -80.5 | 74.5 | 169.7 | -164.2 | -2.4 | 0 | 0 | 0 | 108.4 | R206 R214 S218 | R206-D216 IonicContact NH2-OD2 2.76Å; R206-D216 PolarHBondContact NH2-OD2 3.26Å; R214-D216 PolarHBondContact O-N 3.41Å; D216-S218 PolarHBondContact O-N 2.87Å; D216-S218 WeakPolarHBondContact OD1-CB 3.27Å; D216-S218 PolarHBondContact OD1-N 3.18Å; D216-S218 PolarHBondContact OD1-OG 2.91Å | ||
| 217 | L | 46.9 | Very low | 56.5 | Low | 100 Ų | 100 | 76.7 Ų | 76.7 | 52% | 0.524 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | 20.8 | 168.9 | -75.8 | 146.8 | 0 | 0 | 0 | 111.7 | W215 N219 | W215-L217 HydrophobicContact CB-CD1 4.06Å; W215-L217 HydrophobicContact CB-CG 4.17Å; W215-L217 PolarHBondContact O-N 2.95Å; L217-N219 PolarHBondContact O-N 3.12Å; L217-N219 VanDerWaalsContact O-N 3.17Å |
| 218 | S | 45.4 | Very low | 58.6 | Low | 84 Ų | 84 | 80.4 Ų | 80.4 | 59% | 0.587 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -14.5 | 177.3 | 58.6 | 0 | 0 | 0 | 0 | 113.3 | D216 P220 | D216-S218 PolarHBondContact O-N 2.87Å; D216-S218 WeakPolarHBondContact OD1-CB 3.27Å; D216-S218 PolarHBondContact OD1-N 3.18Å; D216-S218 PolarHBondContact OD1-OG 2.91Å; S218-P220 WeakPolarHBondContact O-CD 3.03Å |
| 219 | N | 52.2 | Low | 60.6 | Low | 13 Ų | 13 | 79.4 Ų | 79.4 | 7% | 0.07 | 43% | 0.434 | C | S | . | . | trans | -84.3 | 109.6 | 173.7 | -162.8 | 17.5 | 0 | 0 | 0 | 110.9 | K195 L199 L217 Q221 M222 | K195-N219 PolarHBondContact NZ-OD1 2.96Å; L199-N219 WeakPolarHBondContact CD1-ND2 3.34Å; L217-N219 PolarHBondContact O-N 3.12Å; L217-N219 VanDerWaalsContact O-N 3.17Å; N219-Q221 PolarHBondContact O-N 3.31Å; N219-M222 PolarHBondContact O-N 3.1Å | ||
| 220 | P | 54.7 | Low | 62.6 | Low | 111 Ų | 111 | 76.3 Ų | 76.3 | 72% | 0.721 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -9.9 | 177.4 | 27.6 | -36.5 | 0 | 0 | 0 | 113.5 | S218 | S218-P220 WeakPolarHBondContact O-CD 3.03Š|
| 221 | Q | 63.3 | Low | 64.9 | Low | 63 Ų | 63 | 79.6 Ų | 79.6 | 29% | 0.294 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -9.2 | -179.4 | -63.7 | -176.8 | -40.5 | 0 | 0 | 114.4 | T150 T151 N219 | T150-Q221 VanDerWaalsContact OG1-C 3.27Å; T150-Q221 PolarHBondContact OG1-O 2.66Å; T151-Q221 PolarHBondContact N-O 3.48Å; N219-Q221 PolarHBondContact O-N 3.31Å |
| 222 | M | 69.7 | Low | 67.5 | Low | 33 Ų | 33 | 80.1 Ų | 80.1 | 16% | 0.163 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 125.5 | -179.5 | -77.1 | -179.7 | 161.3 | 0 | 0 | 111.1 | T151 M196 L199 N219 | T151-M222 HydrophobicContact CG2-CE 4.47Å; T151-M222 WeakPolarHBondContact O-CA 3.36Å; M196-M222 HydrophobicContact CE-CE 4.31Å; M196-M222 HydrophobicContact SD-CE 3.99Å; L199-M222 HydrophobicContact CD1-CE 3.79Å; L199-M222 HydrophobicContact CD1-SD 3.89Å; L199-M222 HydrophobicContact CD2-SD 4.3Å; N219-M222 PolarHBondContact O-N 3.1Å |
| 223 | T | 80.9 | Confident | 70.3 | Confident | 22 Ų | 22 | 79.4 Ų | 79.4 | 14% | 0.135 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 136.5 | 178.1 | -56.2 | 0 | 0 | 0 | 0 | 109.5 | T150 T151 L152 Y153 I175 | T150-T223 WeakPolarHBondContact CG2-OG1 3.49Å; T150-T223 PolarHBondContact OG1-OG1 2.99Å; T151-T223 PolarHBondContact O-N 3.12Å; L152-T223 WeakPolarHBondContact CA-O 3.47Å; Y153-T223 PolarHBondContact N-O 2.9Å; I175-T223 HydrophobicContact CB-CG2 4.15Å |
| 224 | A | 86.4 | Confident | 73.2 | Confident | 31 Ų | 31 | 77.6 Ų | 77.6 | 26% | 0.256 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 139.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y153 V176 | Y153-A224 CarbonylContact O-C 3.58Å; V176-A224 HydrophobicContact CB-CB 4.26Å; V176-A224 WeakPolarHBondContact CB-O 3.33Å; V176-A224 HydrophobicContact CG2-CB 4.46Å; V176-A224 PolarHBondContact N-O 3.4Å |
| 225 | G | 87.9 | Confident | 76 | Confident | 13 Ų | 13 | 67.6 Ų | 67.6 | 13% | 0.134 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 155.2 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | L152 Y153 K174 | L152-G225 VanDerWaalsContact CD1-CA 3.46Å; Y153-G225 PolarHBondContact O-N 3.45Å; K174-G225 CarbonylContact O-C 3.58Å; K174-G225 WeakPolarHBondContact O-CA 3.46Å |
| 226 | T | 90.8 | Very high | 78.2 | Confident | 63 Ų | 63 | 64.3 Ų | 64.3 | 39% | 0.387 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 175.6 | 178 | -167.1 | 0 | 0 | 0 | 0 | 109.4 | K174 V176 | K174-T226 HydrophobicContact CB-CG2 4.05Å; K174-T226 HydrophobicContact CG-CG2 4.2Å; K174-T226 PolarHBondContact N-O 3.22Å; K174-T226 PolarHBondContact O-N 3.18Å; K174-T226 VanDerWaalsContact O-O 3.09Å; V176-T226 HydrophobicContact CG2-CG2 3.8Å |
| 227 | L | 91.4 | Very high | 80.6 | Confident | 8 Ų | 8 | 60.9 Ų | 60.9 | 4% | 0.042 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 136.3 | 174.2 | -68.8 | 173.3 | 0 | 0 | 0 | 110.3 | F156 I169 N172 L251 | F156-L227 HydrophobicContact CD1-CD1 4.24Å; F156-L227 HydrophobicContact CE1-CB 4.49Å; F156-L227 HydrophobicContact CE1-CD1 3.26Å; F156-L227 HydrophobicContact CE1-CG 3.54Å; F156-L227 HydrophobicContact CE2-CD1 4.3Å; F156-L227 HydrophobicContact CZ-CD1 3.29Å; F156-L227 HydrophobicContact CZ-CD2 4.18Å; F156-L227 HydrophobicContact CZ-CG 3.55Å; I169-L227 HydrophobicContact CG2-CD1 3.51Å; N172-L227 WeakPolarHBondContact O-CA 3.48Å; L227-L251 HydrophobicContact CD1-CD2 4.07Å; L227-L251 HydrophobicContact CD2-CD2 3.62Å; L227-L251 HydrophobicContact CG-CD2 4.41Å |
| 228 | N | 90.1 | Very high | 82.6 | Confident | 99 Ų | 99 | 58.2 Ų | 58.2 | 53% | 0.529 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 109 | 172.7 | -177.4 | 39.7 | 0 | 0 | 0 | 112.2 | N172 K174 | N172-N228 WeakPolarHBondContact CB-O 3.37Å; N172-N228 PolarHBondContact O-N 2.85Å; K174-N228 HydrophobicContact CD-CB 4.02Å |
| 229 | P | 86.7 | Confident | 84.7 | Confident | 68 Ų | 68 | 54.2 Ų | 54.2 | 44% | 0.442 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | cis | -65.6 | 156.8 | -3.9 | 29.9 | -35.4 | 0 | 0 | 0 | 111.3 | G171 | G171-P229 WeakPolarHBondContact CA-O 3.46Å |
| 230 | S | 88 | Confident | 86.4 | Confident | 74 Ų | 74 | 53.8 Ų | 53.8 | 52% | 0.517 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 120.2 | 171.6 | 58.6 | 0 | 0 | 0 | 0 | 109.7 | ||
| 231 | E | 92.1 | Very high | 87.9 | Confident | 115 Ų | 115 | 59.1 Ų | 59.1 | 54% | 0.537 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 104.2 | 174.8 | -68.3 | 173.8 | 179.5 | 0 | 0 | 107.3 | I169 S170 | I169-E231 CarbonylContact C-O 3.49Å; I169-E231 WeakPolarHBondContact CA-O 3.44Å; S170-E231 PolarHBondContact N-O 3.07Å; S170-E231 WeakPolarHBondContact O-CB 2.99Å; S170-E231 PolarHBondContact O-N 3.27Å; S170-E231 WeakPolarHBondContact OG-CB 3.49Å; S170-E231 PolarHBondContact OG-OE2 2.7Å |
| 232 | L | 93.7 | Very high | 89.2 | Confident | 75 Ų | 75 | 60.5 Ų | 60.5 | 39% | 0.393 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 116.8 | 175.3 | -59.9 | 100.2 | 0 | 0 | 0 | 108.2 | W167 I169 | W167-L232 HydrophobicContact CZ2-CD2 4.37Å; I169-L232 HydrophobicContact CG1-CD2 4.31Å |
| 233 | Y | 94.9 | Very high | 90.4 | Very high | 148 Ų | 148 | 60.6 Ų | 60.6 | 58% | 0.58 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 123 | -180 | -171.4 | -103.8 | 0 | 0 | 0 | 110.4 | S168 T235 | S168-Y233 PolarHBondContact N-O 2.96Å; S168-Y233 PolarHBondContact O-N 3.37Å; Y233-T235 VanDerWaalsContact CE1-OG1 3.26Å; Y233-T235 WeakPolarHBondContact CE1-OG1 3.43Å |
| 234 | W | 95.8 | Very high | 91.1 | Very high | 22 Ų | 22 | 65.8 Ų | 65.8 | 8% | 0.083 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 112 | 175.6 | -176.6 | -97.1 | 0 | 0 | 0 | 109 | I129 A132 H158 V162 G164 W167 P236 F245 | I129-W234 HydrophobicContact CG2-CH2 4.07Å; A132-W234 HydrophobicContact CB-CH2 4.35Å; A132-W234 HydrophobicContact CB-CZ3 4Å; H158-W234 HydrophobicContact CB-CE3 4.4Å; H158-W234 AromaticContact CD2-CD2 3.31Å; H158-W234 AromaticContact CD2-CE3 3.15Å; H158-W234 AromaticContact CD2-CG 3.67Å; H158-W234 AromaticContact CD2-CZ3 3.73Å; H158-W234 AromaticContact CG-CE3 3.91Å; H158-W234 VanDerWaalsContact NE2-CB 3.34Å; H158-W234 WeakPolarHBondContact NE2-CB 3.42Å; H158-W234 AromaticContact NE2-CD1 3.98Å; H158-W234 AromaticContact NE2-CD2 3.53Å; H158-W234 AromaticContact NE2-CE3 3.85Å; H158-W234 AromaticContact NE2-CG 3.33Å; H158-W234 VanDerWaalsContact NE2-CG 3.33Å; V162-W234 PolarHBondContact O-NE1 3.29Å; G164-W234 VanDerWaalsContact CA-CE2 3.49Å; W167-W234 HydrophobicContact CB-CE3 3.88Å; W167-W234 HydrophobicContact CB-CZ3 3.94Å; W167-W234 AromaticContact CG-CE3 3.94Å; W167-W234 HydrophobicContact CG-CE3 3.94Å; W167-W234 HydrophobicContact CG-CZ3 4.1Å; W234-P236 VanDerWaalsContact O-CD 3.24Å; W234-P236 WeakPolarHBondContact O-CD 3.49Å; W234-F245 AromaticContact CH2-CE2 3.82Å; W234-F245 HydrophobicContact CH2-CE2 3.82Å; W234-F245 AromaticContact CH2-CZ 3.65Å; W234-F245 HydrophobicContact CH2-CZ 3.65Å; W234-F245 HydrophobicContact CZ2-CE2 4.31Å; W234-F245 HydrophobicContact CZ3-CE2 4.22Å; W234-F245 AromaticContact CZ3-CZ 3.68Å; W234-F245 HydrophobicContact CZ3-CZ 3.68Å |
| 235 | T | 95.3 | Very high | 91.6 | Very high | 30 Ų | 30 | 64.3 Ų | 64.3 | 18% | 0.184 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 113.8 | 178.3 | -54.4 | 0 | 0 | 0 | 0 | 108.9 | G164 C165 E166 Y233 G237 | G164-T235 VanDerWaalsContact CA-O 3.29Å; G164-T235 WeakPolarHBondContact CA-O 3.45Å; C165-T235 PolarHBondContact N-O 3.5Å; E166-T235 PolarHBondContact O-N 2.79Å; Y233-T235 VanDerWaalsContact CE1-OG1 3.26Å; Y233-T235 WeakPolarHBondContact CE1-OG1 3.43Å; T235-G237 PolarHBondContact O-N 3.22Å |
| 236 | P | 94.4 | Very high | 92 | Very high | 84 Ų | 84 | 64.7 Ų | 64.7 | 55% | 0.545 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 133.2 | 176.5 | -16 | 30.9 | 0 | 0 | 0 | 110.2 | V162 S163 W234 | V162-P236 HydrophobicContact CG1-CB 4Å; S163-P236 WeakPolarHBondContact O-CA 2.97Å; W234-P236 VanDerWaalsContact O-CD 3.24Å; W234-P236 WeakPolarHBondContact O-CD 3.49Å |
| 237 | G | 91.9 | Very high | 92.3 | Very high | 22 Ų | 22 | 61.7 Ų | 61.7 | 23% | 0.227 | 32% | 0.32 | C | S | . | . | trans | 178.3 | 164.3 | -179 | 0 | 0 | 0 | 0 | 0 | 113.1 | S163 G164 T235 | S163-G237 CarbonylContact C-O 3.47Å; S163-G237 VanDerWaalsContact CB-O 3.27Å; S163-G237 WeakPolarHBondContact CB-O 3.42Å; S163-G237 PolarHBondContact O-N 3.05Å; S163-G237 PolarHBondContact OG-O 3.01Å; G164-G237 CarbonylContact C-O 3.52Å; G164-G237 VanDerWaalsContact C-O 3.23Å; G164-G237 PolarHBondContact N-O 2.86Å; T235-G237 PolarHBondContact O-N 3.22Å | ||
| 238 | D | 90.3 | Very high | 92.6 | Very high | 44 Ų | 44 | 63.3 Ų | 63.3 | 24% | 0.235 | 33% | 0.329 | C | S | . | . | trans | -96.1 | 97.7 | 173.6 | -167.9 | -39.4 | 0 | 0 | 0 | 108.2 | R128 G240 R241 V242 | R128-D238 IonicContact CZ-OD2 3.51Å; R128-D238 IonicContact NE-OD2 3.03Å; R128-D238 PolarHBondContact NE-OD2 2.95Å; R128-D238 IonicContact NH2-OD2 3.47Å; R128-D238 PolarHBondContact NH2-OD2 3.14Å; D238-G240 PolarHBondContact O-N 3.46Å; D238-G240 PolarHBondContact OD1-N 3.34Å; D238-R241 HydrophobicContact CB-CB 3.9Å; D238-R241 WeakPolarHBondContact O-CB 3.42Å; D238-R241 PolarHBondContact O-N 3.37Å; D238-R241 VanDerWaalsContact O-N 3.08Å; D238-R241 PolarHBondContact OD1-N 3.1Å; D238-R241 VanDerWaalsContact OD1-N 3.1Å; D238-V242 PolarHBondContact O-N 2.92Å; D238-V242 VanDerWaalsContact O-N 3.14Å | ||
| 239 | A | 87.8 | Confident | 92.9 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -57.3 | -36.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | M123 I129 G164 V242 G243 R244 F245 | M123-A239 HydrophobicContact CB-CB 4.36Å; M123-A239 HydrophobicContact CG-CB 3.95Å; I129-A239 HydrophobicContact CG1-CB 4.44Å; G164-A239 WeakPolarHBondContact O-CB 3.05Å; A239-V242 PolarHBondContact O-N 3.43Å; A239-G243 CarbonylContact O-C 3.6Å; A239-G243 WeakPolarHBondContact O-CA 3.15Å; A239-G243 PolarHBondContact O-N 3.31Å; A239-R244 PolarHBondContact O-N 3.14Å; A239-R244 VanDerWaalsContact O-N 3.11Å; A239-F245 HydrophobicContact CB-CB 4.08Å; A239-F245 HydrophobicContact CB-CD2 4.1Å |
| 240 | G | 87.7 | Confident | 93.4 | Very high | 4 Ų | 4 | 57.6 Ų | 57.6 | 4% | 0.041 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.4 | -40.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | E124 A125 E127 D238 G243 | E124-G240 WeakPolarHBondContact O-CA 3.45Å; A125-G240 WeakPolarHBondContact CA-O 3.34Å; E127-G240 WeakPolarHBondContact O-CA 3.14Å; E127-G240 PolarHBondContact O-N 3.24Å; E127-G240 VanDerWaalsContact O-N 3.16Å; D238-G240 PolarHBondContact O-N 3.46Å; D238-G240 PolarHBondContact OD1-N 3.34Å; G240-G243 PolarHBondContact O-N 2.89Å |
| 241 | R | 88 | Confident | 93.7 | Very high | 224 Ų | 224 | 54.1 Ų | 54.1 | 85% | 0.845 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -66 | -38.3 | 176.4 | -172.2 | 178.9 | 178.9 | -177.9 | 0 | 113 | D238 G243 | D238-R241 HydrophobicContact CB-CB 3.9Å; D238-R241 WeakPolarHBondContact O-CB 3.42Å; D238-R241 PolarHBondContact O-N 3.37Å; D238-R241 VanDerWaalsContact O-N 3.08Å; D238-R241 PolarHBondContact OD1-N 3.1Å; D238-R241 VanDerWaalsContact OD1-N 3.1Å; R241-G243 VanDerWaalsContact C-N 3.28Å |
| 242 | V | 89.6 | Confident | 93.8 | Very high | 92 Ų | 92 | 51 Ų | 51 | 56% | 0.558 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -75.5 | -23.9 | 175.9 | -176.3 | 0 | 0 | 0 | 0 | 110.9 | D238 A239 R244 | D238-V242 PolarHBondContact O-N 2.92Å; D238-V242 VanDerWaalsContact O-N 3.14Å; A239-V242 PolarHBondContact O-N 3.43Å; V242-R244 VanDerWaalsContact C-N 3.32Å; V242-R244 HydrophobicContact CG1-CG 4.12Å |
| 243 | G | 94.3 | Very high | 93.8 | Very high | 34 Ų | 34 | 47.6 Ų | 47.6 | 35% | 0.351 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.8 | 5.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | M123 A239 G240 R241 | M123-G243 PolarHBondContact N-O 3.34Å; M123-G243 CarbonylContact O-C 3.55Å; M123-G243 WeakPolarHBondContact O-CA 3.36Å; A239-G243 CarbonylContact O-C 3.6Å; A239-G243 WeakPolarHBondContact O-CA 3.15Å; A239-G243 PolarHBondContact O-N 3.31Å; G240-G243 PolarHBondContact O-N 2.89Å; R241-G243 VanDerWaalsContact C-N 3.28Å |
| 244 | R | 95.4 | Very high | 93.6 | Very high | 132 Ų | 132 | 42 Ų | 42 | 50% | 0.498 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 157.2 | 177.9 | 69.4 | -177 | -167.5 | -157.3 | -1.7 | 113.4 | F121 A239 V242 D246 | F121-R244 CarbonylContact O-C 3.59Å; F121-R244 WeakPolarHBondContact O-CA 3.36Å; F121-R244 WeakPolarHBondContact O-CB 3.08Å; A239-R244 PolarHBondContact O-N 3.14Å; A239-R244 VanDerWaalsContact O-N 3.11Å; V242-R244 VanDerWaalsContact C-N 3.32Å; V242-R244 HydrophobicContact CG1-CG 4.12Å; R244-D246 WeakPolarHBondContact CD-OD1 3.31Å; R244-D246 IonicContact CZ-OD2 3.95Å; R244-D246 IonicContact NE-OD1 3.59Å; R244-D246 IonicContact NE-OD2 2.83Å; R244-D246 PolarHBondContact NE-OD2 3.49Å; R244-D246 IonicContact NH2-OD2 3.34Å |
| 245 | F | 96.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 120.8 | 168.5 | -175.5 | -91.9 | 0 | 0 | 0 | 109.6 | L69 F121 M123 I129 G164 C165 W167 W234 A239 V247 | L69-F245 HydrophobicContact CD1-CB 4.3Å; L69-F245 HydrophobicContact CD1-CD1 3.66Å; L69-F245 HydrophobicContact CD1-CE1 4.29Å; L69-F245 HydrophobicContact CD1-CG 4.15Å; L69-F245 HydrophobicContact CD2-CD1 3.73Å; L69-F245 HydrophobicContact CD2-CE1 3.47Å; L69-F245 VanDerWaalsContact CD2-CE1 3.47Å; L69-F245 HydrophobicContact CD2-CZ 4.29Å; L69-F245 HydrophobicContact CG-CD1 4.35Å; F121-F245 HydrophobicContact CB-CB 4.42Å; F121-F245 PolarHBondContact N-O 3.21Å; F121-F245 PolarHBondContact O-N 3.47Å; M123-F245 HydrophobicContact CE-CB 4.08Å; M123-F245 HydrophobicContact CG-CB 3.93Å; M123-F245 HydrophobicContact SD-CB 4.41Å; I129-F245 HydrophobicContact CB-CD2 4.02Å; I129-F245 HydrophobicContact CB-CE2 4.03Å; I129-F245 HydrophobicContact CG1-CD2 4.02Å; I129-F245 HydrophobicContact CG1-CG 4.33Å; I129-F245 HydrophobicContact CG2-CD2 4.26Å; I129-F245 HydrophobicContact CG2-CE2 3.93Å; I129-F245 HydrophobicContact CG2-CZ 4.16Å; G164-F245 WeakPolarHBondContact O-CD2 2.95Å; C165-F245 WeakPolarHBondContact O-CA 3.41Å; W167-F245 HydrophobicContact CB-CE1 4.32Å; W167-F245 HydrophobicContact CB-CZ 4.01Å; W234-F245 AromaticContact CH2-CE2 3.82Å; W234-F245 HydrophobicContact CH2-CE2 3.82Å; W234-F245 AromaticContact CH2-CZ 3.65Å; W234-F245 HydrophobicContact CH2-CZ 3.65Å; W234-F245 HydrophobicContact CZ2-CE2 4.31Å; W234-F245 HydrophobicContact CZ3-CE2 4.22Å; W234-F245 AromaticContact CZ3-CZ 3.68Å; W234-F245 HydrophobicContact CZ3-CZ 3.68Å; A239-F245 HydrophobicContact CB-CB 4.08Å; A239-F245 HydrophobicContact CB-CD2 4.1Å; F245-V247 HydrophobicContact CD1-CG2 3.94Å; F245-V247 HydrophobicContact CE1-CG2 3.6Å |
| 246 | D | 96.8 | Very high | 93.1 | Very high | 21 Ų | 21 | 45.9 Ų | 45.9 | 11% | 0.112 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 129.5 | -173.3 | -64 | -38.2 | 0 | 0 | 0 | 111 | S120 C165 E166 W167 R244 | S120-D246 VanDerWaalsContact CB-OD1 3.25Å; S120-D246 WeakPolarHBondContact CB-OD1 3.37Å; S120-D246 PolarHBondContact OG-OD1 3.41Å; C165-D246 PolarHBondContact O-N 2.75Å; E166-D246 CarbonylContact C-O 3.57Å; E166-D246 WeakPolarHBondContact CA-O 3.29Å; E166-D246 HydrophobicContact CB-CB 4.4Å; E166-D246 HydrophobicContact CG-CB 4.23Å; W167-D246 PolarHBondContact N-O 3.08Å; R244-D246 WeakPolarHBondContact CD-OD1 3.31Å; R244-D246 IonicContact CZ-OD2 3.95Å; R244-D246 IonicContact NE-OD1 3.59Å; R244-D246 IonicContact NE-OD2 2.83Å; R244-D246 PolarHBondContact NE-OD2 3.49Å; R244-D246 IonicContact NH2-OD2 3.34Å |
| 247 | V | 97.3 | Very high | 93 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 116.4 | 173.7 | 179.5 | 0 | 0 | 0 | 0 | 108.2 | S118 A119 W167 F245 I249 | S118-V247 CarbonylContact C-O 3.48Å; S118-V247 VanDerWaalsContact CA-O 3.27Å; S118-V247 WeakPolarHBondContact CA-O 3.4Å; A119-V247 HydrophobicContact CB-CB 4.38Å; A119-V247 PolarHBondContact N-O 3.25Å; A119-V247 PolarHBondContact O-N 3.07Å; W167-V247 HydrophobicContact CE3-CG1 4.2Å; W167-V247 HydrophobicContact CE3-CG2 4.41Å; W167-V247 CarbonylContact O-C 3.58Å; W167-V247 WeakPolarHBondContact O-CA 3.42Å; F245-V247 HydrophobicContact CD1-CG2 3.94Å; F245-V247 HydrophobicContact CE1-CG2 3.6Å; V247-I249 HydrophobicContact CG1-CD1 4.05Å; V247-I249 HydrophobicContact CG1-CG1 4.01Å |
| 248 | N | 97.5 | Very high | 93 | Very high | 42 Ų | 42 | 44.4 Ų | 44.4 | 23% | 0.225 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 117.8 | -176.7 | -71.5 | -45.6 | 0 | 0 | 0 | 110.3 | S118 E166 W167 S168 I169 | S118-N248 PolarHBondContact OG-OD1 3.34Å; E166-N248 PolarHBondContact OE1-ND2 2.86Å; W167-N248 PolarHBondContact O-N 2.98Å; S168-N248 CarbonylContact C-O 3.48Å; S168-N248 WeakPolarHBondContact CA-O 3.23Å; I169-N248 PolarHBondContact N-O 3.26Å |
| 249 | I | 97 | Very high | 93 | Very high | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 126 | -175.9 | -51.4 | -179.6 | 0 | 0 | 0 | 109.2 | K116 F117 I134 L136 I169 V247 L251 | K116-I249 WeakPolarHBondContact CA-O 3.32Å; F117-I249 HydrophobicContact CB-CB 4.17Å; F117-I249 HydrophobicContact CD1-CB 4.43Å; F117-I249 HydrophobicContact CD1-CD1 3.97Å; F117-I249 HydrophobicContact CD1-CG1 4.23Å; F117-I249 PolarHBondContact N-O 3.06Å; F117-I249 PolarHBondContact O-N 2.97Å; I134-I249 HydrophobicContact CD1-CD1 3.42Å; I134-I249 VanDerWaalsContact CD1-CD1 3.42Å; I134-I249 HydrophobicContact CG1-CD1 4.47Å; I134-I249 HydrophobicContact CG2-CD1 4.04Å; L136-I249 HydrophobicContact CD1-CD1 4.23Å; L136-I249 HydrophobicContact CD1-CG2 4.47Å; I169-I249 HydrophobicContact CB-CB 4.47Å; I169-I249 HydrophobicContact CB-CG1 4.14Å; I169-I249 HydrophobicContact CB-CG2 4.17Å; I169-I249 HydrophobicContact CD1-CD1 3.88Å; I169-I249 HydrophobicContact CD1-CG1 3.92Å; I169-I249 HydrophobicContact CG1-CG1 4.42Å; I169-I249 HydrophobicContact CG2-CG2 4.36Å; I169-I249 CarbonylContact O-C 3.5Å; I169-I249 VanDerWaalsContact O-CA 3.29Å; I169-I249 WeakPolarHBondContact O-CA 3.41Å; V247-I249 HydrophobicContact CG1-CD1 4.05Å; V247-I249 HydrophobicContact CG1-CG1 4.01Å; I249-L251 HydrophobicContact CG2-CD1 4.25Å; I249-L251 HydrophobicContact CG2-CD2 3.54Å; I249-L251 HydrophobicContact CG2-CG 3.68Å |
| 250 | V | 96 | Very high | 93.1 | Very high | 45 Ų | 45 | 44.4 Ų | 44.4 | 27% | 0.273 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 101.5 | 177.1 | -175.7 | 0 | 0 | 0 | 0 | 108.3 | Q114 L115 K116 I169 S170 G171 | Q114-V250 VanDerWaalsContact CD-CG1 3.42Å; Q114-V250 HydrophobicContact CG-CG1 3.83Å; Q114-V250 VanDerWaalsContact NE2-CG1 3.25Å; L115-V250 WeakPolarHBondContact O-CA 3.37Å; K116-V250 HydrophobicContact CG-CG2 4.48Å; I169-V250 PolarHBondContact O-N 3.29Å; S170-V250 WeakPolarHBondContact CA-O 3.41Å; G171-V250 PolarHBondContact N-O 2.75Å |
| 251 | L | 96 | Very high | 92.9 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 125.5 | 179.8 | -50.7 | -179.7 | 0 | 0 | 0 | 109.4 | Q114 L115 L136 F138 F156 G171 L227 I249 Y253 | Q114-L251 CarbonylContact C-O 3.59Å; Q114-L251 WeakPolarHBondContact CA-O 3.49Å; Q114-L251 WeakPolarHBondContact CG-O 3.26Å; L115-L251 HydrophobicContact CB-CB 4.25Å; L115-L251 HydrophobicContact CD2-CD1 3.96Å; L115-L251 HydrophobicContact CD2-CG 4.42Å; L115-L251 PolarHBondContact N-O 3.32Å; L115-L251 PolarHBondContact O-N 3.45Å; L136-L251 HydrophobicContact CD1-CD1 4.01Å; F138-L251 HydrophobicContact CE1-CD1 4.34Å; F138-L251 HydrophobicContact CE2-CD1 4.27Å; F138-L251 HydrophobicContact CZ-CD1 3.56Å; F156-L251 HydrophobicContact CE2-CD2 4.25Å; F156-L251 HydrophobicContact CZ-CD2 4.18Å; G171-L251 WeakPolarHBondContact O-CA 3.47Å; L227-L251 HydrophobicContact CD1-CD2 4.07Å; L227-L251 HydrophobicContact CD2-CD2 3.62Å; L227-L251 HydrophobicContact CG-CD2 4.41Å; I249-L251 HydrophobicContact CG2-CD1 4.25Å; I249-L251 HydrophobicContact CG2-CD2 3.54Å; I249-L251 HydrophobicContact CG2-CG 3.68Å; L251-Y253 HydrophobicContact CB-CE1 4.44Å |
| 252 | N | 94.2 | Very high | 92.6 | Very high | 49 Ų | 49 | 35.3 Ų | 35.3 | 26% | 0.262 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 133.1 | 172.8 | -51.7 | -43.7 | 0 | 0 | 0 | 109.6 | E113 Q114 G171 N172 L173 A254 | E113-N252 CarbonylContact O-C 3.53Å; E113-N252 WeakPolarHBondContact O-CA 3.17Å; Q114-N252 PolarHBondContact NE2-OD1 3.26Å; G171-N252 PolarHBondContact O-N 2.81Å; N172-N252 CarbonylContact C-O 3.53Å; N172-N252 WeakPolarHBondContact CA-O 3.39Å; N172-N252 WeakPolarHBondContact OD1-CB 3.24Å; N172-N252 PolarHBondContact OD1-ND2 3.16Å; L173-N252 PolarHBondContact N-O 2.71Å; N252-A254 PolarHBondContact O-N 3Å |
| 253 | Y | 93.1 | Very high | 92.3 | Very high | 5 Ų | 5 | 34.3 Ų | 34.3 | 2% | 0.02 | 19% | 0.191 | C | C | . | . | trans | -91 | 98.3 | 169.5 | -52.4 | -22 | 0 | 0 | 0 | 106.4 | H56 I59 E103 V112 E113 L115 F138 L173 L251 | H56-Y253 PolarHBondContact CE1-O 3.43Å; H56-Y253 VanDerWaalsContact CE1-O 3.32Å; H56-Y253 PolarHBondContact NE2-O 3.01Å; I59-Y253 HydrophobicContact CB-CD1 4.19Å; I59-Y253 HydrophobicContact CB-CD2 3.82Å; I59-Y253 HydrophobicContact CB-CE1 4.29Å; I59-Y253 HydrophobicContact CB-CE2 3.89Å; I59-Y253 HydrophobicContact CB-CG 3.98Å; I59-Y253 HydrophobicContact CD1-CD1 4.05Å; I59-Y253 HydrophobicContact CD1-CG 4.19Å; I59-Y253 HydrophobicContact CG1-CG 4.47Å; I59-Y253 HydrophobicContact CG2-CD1 4.16Å; I59-Y253 HydrophobicContact CG2-CD2 4.33Å; I59-Y253 HydrophobicContact CG2-CE1 3.82Å; I59-Y253 HydrophobicContact CG2-CE2 3.97Å; I59-Y253 HydrophobicContact CG2-CG 4.42Å; I59-Y253 WeakPolarHBondContact O-CE2 3.2Å; E103-Y253 PolarHBondContact OE1-OH 3.4Å; V112-Y253 HydrophobicContact CB-CD2 3.89Å; V112-Y253 HydrophobicContact CB-CE2 3.87Å; V112-Y253 HydrophobicContact CG1-CD2 3.62Å; V112-Y253 HydrophobicContact CG1-CE2 3.31Å; V112-Y253 WeakPolarHBondContact O-CD2 3.4Å; E113-Y253 PolarHBondContact O-N 3.38Å; L115-Y253 HydrophobicContact CB-CE1 4.33Å; F138-Y253 HydrophobicContact CE1-CE1 4.27Å; F138-Y253 WeakPolarHBondContact CE1-OH 3.26Å; L173-Y253 HydrophobicContact CB-CD1 4.28Å; L173-Y253 HydrophobicContact CD2-CD1 4.02Å; L173-Y253 HydrophobicContact CD2-CE1 3.84Å; L251-Y253 HydrophobicContact CB-CE1 4.44Å | ||
| 254 | A | 90.2 | Very high | 91.6 | Very high | 29 Ų | 29 | 35.8 Ų | 35.8 | 24% | 0.24 | 20% | 0.2 | C | C | . | . | trans | -107.4 | 160.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111 | P57 N172 N252 D256 | P57-A254 WeakPolarHBondContact CD-O 3.1Å; N172-A254 HydrophobicContact CB-CB 4.16Å; N252-A254 PolarHBondContact O-N 3Å; A254-D256 PolarHBondContact O-N 2.85Å | ||
| 255 | E | 90.2 | Very high | 91 | Very high | 105 Ų | 105 | 37.1 Ų | 37.1 | 49% | 0.491 | 21% | 0.205 | S | C | . | . | trans | -60.6 | 133.6 | 168.1 | -60 | -173.1 | 156.3 | 0 | 0 | 110.7 | K54 H56 | K54-E255 VanDerWaalsContact CE-OE2 3.23Å; K54-E255 WeakPolarHBondContact CE-OE2 3.13Å; K54-E255 IonicContact NZ-OE2 3.33Å; K54-E255 PolarHBondContact NZ-OE2 3.48Å; H56-E255 HydrophobicContact CB-CG 3.96Å | ||
| 256 | D | 91.3 | Very high | 90.3 | Very high | 30 Ų | 30 | 38.9 Ų | 38.9 | 16% | 0.16 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 168.3 | 173.8 | -159.8 | 4.2 | 0 | 0 | 0 | 110.6 | K54 E55 K174 A254 Y258 | K54-D256 WeakPolarHBondContact CA-O 3.07Å; E55-D256 PolarHBondContact N-O 2.97Å; E55-D256 VanDerWaalsContact N-O 3.12Å; E55-D256 PolarHBondContact O-N 2.9Å; K174-D256 WeakPolarHBondContact CD-OD2 3.49Å; K174-D256 WeakPolarHBondContact CE-OD2 3.43Å; K174-D256 VanDerWaalsContact CG-OD2 3.25Å; K174-D256 WeakPolarHBondContact CG-OD2 3.37Å; K174-D256 VanDerWaalsContact NZ-CG 3.28Å; K174-D256 IonicContact NZ-OD1 2.66Å; K174-D256 PolarHBondContact NZ-OD1 3.36Å; K174-D256 IonicContact NZ-OD2 2.85Å; K174-D256 PolarHBondContact NZ-OD2 3.22Å; A254-D256 PolarHBondContact O-N 2.85Å; D256-Y258 HydrophobicContact CB-CE1 4.28Å; D256-Y258 HydrophobicContact CB-CE2 4.4Å |
| 257 | T | 92.4 | Very high | 89.6 | Confident | 71 Ų | 71 | 41.9 Ų | 41.9 | 44% | 0.436 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 121.9 | 176.6 | -53 | 0 | 0 | 0 | 0 | 110.2 | V53 | V53-T257 CarbonylContact O-C 3.53Å; V53-T257 WeakPolarHBondContact O-CA 3.44Å |
| 258 | Y | 91.4 | Very high | 89.1 | Confident | 3 Ų | 3 | 46.3 Ų | 46.3 | 1% | 0.012 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 133.6 | -179.1 | -55 | -71.5 | 0 | 0 | 0 | 110.8 | S52 V53 E55 P57 F140 L142 I175 D256 | S52-Y258 CarbonylContact C-O 3.59Å; S52-Y258 WeakPolarHBondContact CA-O 3.35Å; V53-Y258 PolarHBondContact N-O 2.86Å; V53-Y258 PolarHBondContact O-N 3.19Å; E55-Y258 HydrophobicContact CB-CD2 4.2Å; E55-Y258 HydrophobicContact CB-CE2 4.19Å; E55-Y258 WeakPolarHBondContact O-CE2 3.14Å; P57-Y258 WeakPolarHBondContact CD-OH 3.2Å; P57-Y258 VanDerWaalsContact CG-OH 3.24Å; P57-Y258 WeakPolarHBondContact CG-OH 3.22Å; F140-Y258 AromaticContact CZ-CE1 3.93Å; F140-Y258 HydrophobicContact CZ-CE1 3.93Å; F140-Y258 AromaticContact CZ-CZ 4Å; L142-Y258 HydrophobicContact CD1-CD1 4.47Å; L142-Y258 HydrophobicContact CD1-CD2 4.15Å; L142-Y258 HydrophobicContact CD1-CG 4.1Å; L142-Y258 HydrophobicContact CD2-CD2 3.85Å; L142-Y258 HydrophobicContact CD2-CE2 3.58Å; I175-Y258 HydrophobicContact CD1-CD1 3.71Å; I175-Y258 HydrophobicContact CD1-CE1 3.7Å; I175-Y258 HydrophobicContact CG1-CD1 4.16Å; I175-Y258 HydrophobicContact CG1-CE1 3.9Å; D256-Y258 HydrophobicContact CB-CE1 4.28Å; D256-Y258 HydrophobicContact CB-CE2 4.4Å |
| 259 | S | 90.6 | Very high | 88.6 | Confident | 41 Ų | 41 | 50 Ų | 50 | 29% | 0.287 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 122.4 | 168.4 | -63.3 | 0 | 0 | 0 | 0 | 109.6 | I51 Q177 P180 L181 | I51-S259 WeakPolarHBondContact O-CA 3.45Å; Q177-S259 VanDerWaalsContact OE1-N 3.16Å; P180-S259 CarbonylContact C-O 3.6Å; P180-S259 WeakPolarHBondContact CA-O 3.33Å; L181-S259 PolarHBondContact N-O 3.33Å |
| 260 | I | 88.4 | Confident | 87.9 | Confident | 4 Ų | 4 | 53.2 Ų | 53.2 | 2% | 0.021 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 149.5 | -177.2 | 69.4 | 172.8 | 0 | 0 | 0 | 112.1 | V50 I51 V53 C146 L181 | V50-I260 WeakPolarHBondContact CA-O 3.4Å; I51-I260 HydrophobicContact CD1-CD1 3.95Å; I51-I260 HydrophobicContact CD1-CG1 3.98Å; I51-I260 HydrophobicContact CG1-CD1 3.97Å; I51-I260 HydrophobicContact CG1-CG1 3.42Å; I51-I260 VanDerWaalsContact CG1-CG1 3.42Å; I51-I260 PolarHBondContact N-O 2.64Å; I51-I260 PolarHBondContact O-N 3.46Å; V53-I260 HydrophobicContact CB-CD1 4.39Å; V53-I260 HydrophobicContact CG2-CD1 3.55Å; V53-I260 HydrophobicContact CG2-CG1 3.96Å; C146-I260 HydrophobicContact CB-CD1 4.14Å; C146-I260 HydrophobicContact CB-CG2 4.39Å; L181-I260 HydrophobicContact CB-CG2 4.21Å; L181-I260 CarbonylContact O-C 3.55Å; L181-I260 WeakPolarHBondContact O-CA 3.44Å |
| 261 | V | 85.1 | Confident | 87.5 | Confident | 27 Ų | 27 | 52.7 Ų | 52.7 | 16% | 0.164 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 114.8 | 163.5 | -174.9 | 0 | 0 | 0 | 0 | 107.5 | P180 L181 C183 | P180-V261 HydrophobicContact CB-CG2 3.74Å; P180-V261 HydrophobicContact CG-CG2 3.69Å; L181-V261 PolarHBondContact O-N 3.22Å; C183-V261 PolarHBondContact N-O 2.95Å; C183-V261 PolarHBondContact SG-O 3.31Å |
| 262 | P | 81.5 | Confident | 87.2 | Confident | 10 Ų | 10 | 60.2 Ų | 60.2 | 7% | 0.065 | 31% | 0.306 | C | S | . | . | trans | -60.3 | 150.8 | 179.2 | -16.9 | 27.2 | 0 | 0 | 0 | 111.4 | R49 I51 S266 R267 | R49-P262 WeakPolarHBondContact O-CD 2.99Å; I51-P262 HydrophobicContact CD1-CG 3.89Å; I51-P262 HydrophobicContact CG1-CG 3.94Å; I51-P262 HydrophobicContact CG2-CG 4.11Å; P262-S266 WeakPolarHBondContact CB-OG 3.25Å; P262-R267 HydrophobicContact CB-CG 4.32Å; P262-R267 PolarHBondContact O-NH1 2.97Å | ||
| 263 | N | 82.1 | Confident | 87 | Confident | 71 Ų | 71 | 63.2 Ų | 63.2 | 38% | 0.38 | 32% | 0.321 | S | S | . | . | trans | -64.3 | 164.4 | 175.5 | 65.2 | 15.4 | 0 | 0 | 0 | 112.8 | W265 S266 R267 | N263-W265 PolarHBondContact O-N 3.15Å; N263-W265 VanDerWaalsContact O-N 3.14Å; N263-W265 PolarHBondContact OD1-N 2.93Å; N263-S266 PolarHBondContact N-OG 3.46Å; N263-S266 PolarHBondContact O-N 3.04Å; N263-S266 PolarHBondContact O-OG 3.42Å; N263-S266 WeakPolarHBondContact OD1-CB 3.21Å; N263-S266 PolarHBondContact OD1-N 3.42Å; N263-S266 PolarHBondContact OD1-OG 3Å; N263-R267 WeakPolarHBondContact O-CG 3.09Å; N263-R267 PolarHBondContact O-N 2.87Å; N263-R267 VanDerWaalsContact O-N 3.14Å | ||
| 264 | A | 81.3 | Confident | 86.9 | Confident | 65 Ų | 65 | 65.1 Ų | 65.1 | 54% | 0.537 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -56.2 | -33.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | L268 | A264-L268 WeakPolarHBondContact O-CB 3.49Å; A264-L268 PolarHBondContact O-N 2.86Å |
| 265 | W | 82.8 | Confident | 87 | Confident | 160 Ų | 160 | 66 Ų | 66 | 61% | 0.606 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -71.7 | -42.6 | -178.3 | -174.3 | -124.7 | 0 | 0 | 0 | 113.4 | N263 R267 L268 K269 | N263-W265 PolarHBondContact O-N 3.15Å; N263-W265 VanDerWaalsContact O-N 3.14Å; N263-W265 PolarHBondContact OD1-N 2.93Å; W265-R267 VanDerWaalsContact C-N 3.34Å; W265-L268 HydrophobicContact CE3-CD2 3.91Å; W265-L268 HydrophobicContact CZ3-CD2 3.73Å; W265-L268 PolarHBondContact O-N 3.06Å; W265-K269 WeakPolarHBondContact O-CG 3.2Å; W265-K269 PolarHBondContact O-N 2.98Å |
| 266 | S | 80.9 | Confident | 87.2 | Confident | 36 Ų | 36 | 64.8 Ų | 64.8 | 25% | 0.252 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65 | -39.5 | 174.3 | 57.9 | 0 | 0 | 0 | 0 | 111.1 | P262 N263 K269 L270 | P262-S266 WeakPolarHBondContact CB-OG 3.25Å; N263-S266 PolarHBondContact N-OG 3.46Å; N263-S266 PolarHBondContact O-N 3.04Å; N263-S266 PolarHBondContact O-OG 3.42Å; N263-S266 WeakPolarHBondContact OD1-CB 3.21Å; N263-S266 PolarHBondContact OD1-N 3.42Å; N263-S266 PolarHBondContact OD1-OG 3Å; S266-K269 PolarHBondContact O-N 3.26Å; S266-L270 PolarHBondContact O-N 3.47Å |
| 267 | R | 82.9 | Confident | 87.3 | Confident | 84 Ų | 84 | 66 Ų | 66 | 32% | 0.317 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -59.5 | -48.6 | 171.3 | -66.9 | -171.2 | -60.9 | -112.6 | 9.4 | 111.6 | P262 N263 W265 K269 L270 V271 | P262-R267 HydrophobicContact CB-CG 4.32Å; P262-R267 PolarHBondContact O-NH1 2.97Å; N263-R267 WeakPolarHBondContact O-CG 3.09Å; N263-R267 PolarHBondContact O-N 2.87Å; N263-R267 VanDerWaalsContact O-N 3.14Å; W265-R267 VanDerWaalsContact C-N 3.34Å; R267-K269 VanDerWaalsContact C-N 3.31Å; R267-K269 PolarHBondContact O-N 3.32Å; R267-L270 PolarHBondContact O-N 3.42Å; R267-V271 WeakPolarHBondContact O-CG2 3.41Å; R267-V271 PolarHBondContact O-N 3.12Å |
| 268 | L | 85.7 | Confident | 87.4 | Confident | 94 Ų | 94 | 66.2 Ų | 66.2 | 49% | 0.492 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.4 | -40 | 178.9 | -176.9 | 64.2 | 0 | 0 | 0 | 112.3 | A264 W265 L270 V271 W272 | A264-L268 WeakPolarHBondContact O-CB 3.49Å; A264-L268 PolarHBondContact O-N 2.86Å; W265-L268 HydrophobicContact CE3-CD2 3.91Å; W265-L268 HydrophobicContact CZ3-CD2 3.73Å; W265-L268 PolarHBondContact O-N 3.06Å; L268-L270 VanDerWaalsContact C-N 3.34Å; L268-L270 PolarHBondContact O-N 2.84Å; L268-V271 PolarHBondContact O-N 3.26Å; L268-W272 VanDerWaalsContact O-CB 3.26Å; L268-W272 WeakPolarHBondContact O-CB 3.16Å; L268-W272 PolarHBondContact O-N 3.2Å |
| 269 | K | 87 | Confident | 87.6 | Confident | 119 Ų | 119 | 67.6 Ų | 67.6 | 52% | 0.517 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -58.8 | -43.6 | 175.7 | -78.2 | 175.1 | 173.4 | 174.6 | 0 | 112.3 | W265 S266 R267 I273 | W265-K269 WeakPolarHBondContact O-CG 3.2Å; W265-K269 PolarHBondContact O-N 2.98Å; S266-K269 PolarHBondContact O-N 3.26Å; R267-K269 VanDerWaalsContact C-N 3.31Å; R267-K269 PolarHBondContact O-N 3.32Å; K269-I273 WeakPolarHBondContact O-CD1 3.2Å; K269-I273 VanDerWaalsContact O-CG1 3.31Å; K269-I273 WeakPolarHBondContact O-CG1 3.22Å; K269-I273 PolarHBondContact O-N 3.03Å |
| 270 | L | 83.6 | Confident | 87.8 | Confident | 69 Ų | 69 | 70.5 Ų | 70.5 | 36% | 0.361 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -67.9 | -48.8 | 178.8 | -69 | 172.1 | 0 | 0 | 0 | 111.4 | S266 R267 L268 W272 I273 E274 | S266-L270 PolarHBondContact O-N 3.47Å; R267-L270 PolarHBondContact O-N 3.42Å; L268-L270 VanDerWaalsContact C-N 3.34Å; L268-L270 PolarHBondContact O-N 2.84Å; L270-W272 PolarHBondContact O-N 3.41Å; L270-I273 PolarHBondContact O-N 3.42Å; L270-E274 PolarHBondContact O-N 3.23Å |
| 271 | V | 87.1 | Confident | 88.2 | Confident | 35 Ų | 35 | 73.8 Ų | 73.8 | 21% | 0.212 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -55.5 | -39.9 | 176.3 | 173.5 | 0 | 0 | 0 | 0 | 111.1 | L46 R267 L268 E274 Y275 | L46-V271 HydrophobicContact CD1-CG2 3.67Å; L46-V271 HydrophobicContact CD2-CG2 3.46Å; L46-V271 VanDerWaalsContact CD2-CG2 3.46Å; L46-V271 HydrophobicContact CG-CG2 4.16Å; R267-V271 WeakPolarHBondContact O-CG2 3.41Å; R267-V271 PolarHBondContact O-N 3.12Å; L268-V271 PolarHBondContact O-N 3.26Å; V271-E274 PolarHBondContact O-N 2.82Å; V271-Y275 WeakPolarHBondContact O-CB 3.5Å; V271-Y275 PolarHBondContact O-N 3.12Å |
| 272 | W | 89.8 | Confident | 88.6 | Confident | 157 Ų | 157 | 74.6 Ų | 74.6 | 60% | 0.595 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -64.4 | -41 | 179.1 | -176 | -106 | 0 | 0 | 0 | 112.9 | L268 L270 Y275 L276 | L268-W272 VanDerWaalsContact O-CB 3.26Å; L268-W272 WeakPolarHBondContact O-CB 3.16Å; L268-W272 PolarHBondContact O-N 3.2Å; L270-W272 PolarHBondContact O-N 3.41Å; W272-Y275 HydrophobicContact CZ3-CD1 4.41Å; W272-L276 WeakPolarHBondContact O-CB 3.3Å; W272-L276 PolarHBondContact O-N 3Å |
| 273 | I | 90.6 | Very high | 89.3 | Confident | 113 Ų | 113 | 78 Ų | 78 | 58% | 0.579 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -66.1 | -45.8 | 178.2 | -66.5 | 161.9 | 0 | 0 | 0 | 110.3 | K269 L270 L276 A277 | K269-I273 WeakPolarHBondContact O-CD1 3.2Å; K269-I273 VanDerWaalsContact O-CG1 3.31Å; K269-I273 WeakPolarHBondContact O-CG1 3.22Å; K269-I273 PolarHBondContact O-N 3.03Å; L270-I273 PolarHBondContact O-N 3.42Å; I273-L276 PolarHBondContact O-N 2.85Å; I273-A277 PolarHBondContact O-N 3.42Å; I273-A277 VanDerWaalsContact O-N 3.08Å |
| 274 | E | 90 | Very high | 90 | Very high | 45 Ų | 45 | 80.8 Ų | 80.8 | 21% | 0.21 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -62.7 | -45.4 | 177 | -70.2 | 167.7 | -170.3 | 0 | 0 | 111.1 | I40 R49 L270 V271 L276 A277 F278 | I40-E274 HydrophobicContact CD1-CB 4.04Å; I40-E274 HydrophobicContact CG1-CB 4.32Å; R49-E274 IonicContact NH1-OE1 3.34Å; R49-E274 PolarHBondContact NH1-OE1 3.5Å; L270-E274 PolarHBondContact O-N 3.23Å; V271-E274 PolarHBondContact O-N 2.82Å; E274-L276 VanDerWaalsContact C-N 3.35Å; E274-L276 PolarHBondContact O-N 3.43Å; E274-A277 PolarHBondContact O-N 3.2Å; E274-F278 WeakPolarHBondContact O-CD2 3.32Å; E274-F278 PolarHBondContact O-N 2.84Å |
| 275 | Y | 92.6 | Very high | 90.7 | Very high | 47 Ų | 47 | 81.1 Ų | 81.1 | 18% | 0.184 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -58.9 | -45.3 | 177.6 | 179.1 | -95.8 | 0 | 0 | 0 | 111.8 | I33 P36 I40 V271 W272 A277 F278 L279 | I33-Y275 PolarHBondContact O-OH 2.85Å; P36-Y275 HydrophobicContact CB-CD2 3.83Å; P36-Y275 HydrophobicContact CB-CE2 3.79Å; P36-Y275 HydrophobicContact CG-CE2 4.47Å; I40-Y275 VanDerWaalsContact CD1-CA 3.44Å; I40-Y275 HydrophobicContact CD1-CD2 4.32Å; V271-Y275 WeakPolarHBondContact O-CB 3.5Å; V271-Y275 PolarHBondContact O-N 3.12Å; W272-Y275 HydrophobicContact CZ3-CD1 4.41Å; Y275-A277 PolarHBondContact O-N 2.96Å; Y275-F278 PolarHBondContact O-N 3.46Å; Y275-L279 HydrophobicContact CE1-CD2 4.16Å; Y275-L279 WeakPolarHBondContact O-CB 3.31Å; Y275-L279 PolarHBondContact O-N 2.91Å |
| 276 | L | 94.6 | Very high | 91.3 | Very high | 80 Ų | 80 | 74.4 Ų | 74.4 | 42% | 0.419 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64 | -40.2 | 178.2 | -174 | 64.6 | 0 | 0 | 0 | 112.1 | W272 I273 E274 L279 I280 | W272-L276 WeakPolarHBondContact O-CB 3.3Å; W272-L276 PolarHBondContact O-N 3Å; I273-L276 PolarHBondContact O-N 2.85Å; E274-L276 VanDerWaalsContact C-N 3.35Å; E274-L276 PolarHBondContact O-N 3.43Å; L276-L279 HydrophobicContact CD1-CD2 4.29Å; L276-L279 PolarHBondContact O-N 2.9Å; L276-I280 HydrophobicContact CD1-CD1 4.49Å; L276-I280 HydrophobicContact CG-CD1 4.23Å; L276-I280 WeakPolarHBondContact O-CG1 3.27Å; L276-I280 PolarHBondContact O-N 3.3Å |
| 277 | A | 94.1 | Very high | 91.9 | Very high | 54 Ų | 54 | 78.8 Ų | 78.8 | 45% | 0.446 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.8 | -46 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | I273 E274 Y275 T281 | I273-A277 PolarHBondContact O-N 3.42Å; I273-A277 VanDerWaalsContact O-N 3.08Å; E274-A277 PolarHBondContact O-N 3.2Å; Y275-A277 PolarHBondContact O-N 2.96Å; A277-T281 PolarHBondContact O-N 3.47Å; A277-T281 PolarHBondContact O-OG1 3.42Å |
| 278 | F | 93.3 | Very high | 92.5 | Very high | 76 Ų | 76 | 79.2 Ų | 79.2 | 33% | 0.333 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -68 | -41.6 | 175.1 | -72.4 | -62.3 | 0 | 0 | 0 | 111.7 | P36 V39 I40 E274 Y275 I280 T281 F282 | P36-F278 HydrophobicContact CB-CB 3.71Å; P36-F278 HydrophobicContact CG-CB 4.33Å; V39-F278 HydrophobicContact CG1-CD1 4.08Å; V39-F278 HydrophobicContact CG1-CD2 4.35Å; V39-F278 HydrophobicContact CG1-CE1 3.7Å; V39-F278 HydrophobicContact CG1-CE2 4Å; V39-F278 HydrophobicContact CG1-CG 4.4Å; V39-F278 HydrophobicContact CG1-CZ 3.66Å; I40-F278 HydrophobicContact CD1-CD2 4.22Å; I40-F278 HydrophobicContact CG1-CD2 3.88Å; I40-F278 HydrophobicContact CG1-CE2 4.08Å; E274-F278 WeakPolarHBondContact O-CD2 3.32Å; E274-F278 PolarHBondContact O-N 2.84Å; Y275-F278 PolarHBondContact O-N 3.46Å; F278-I280 VanDerWaalsContact C-N 3.32Å; F278-I280 PolarHBondContact O-N 3.33Å; F278-T281 WeakPolarHBondContact O-CA 3.47Å; F278-T281 WeakPolarHBondContact O-CB 3.22Å; F278-T281 PolarHBondContact O-N 2.85Å; F278-F282 HydrophobicContact CB-CD2 4.4Å; F278-F282 VanDerWaalsContact O-CD2 3.26Å; F278-F282 WeakPolarHBondContact O-CD2 3.28Å; F278-F282 PolarHBondContact O-N 3.2Å |
| 279 | L | 95.6 | Very high | 92.9 | Very high | 33 Ų | 33 | 78.1 Ų | 78.1 | 17% | 0.173 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -54 | -47.4 | 177.6 | -178 | 71.1 | 0 | 0 | 0 | 111.6 | I32 P36 Y275 L276 T281 F282 I283 | I32-L279 HydrophobicContact CG2-CD1 3.69Å; I32-L279 VanDerWaalsContact O-CD1 3.31Å; I32-L279 WeakPolarHBondContact O-CD1 3.45Å; P36-L279 HydrophobicContact CG-CB 4.4Å; P36-L279 HydrophobicContact CG-CD1 4.41Å; Y275-L279 HydrophobicContact CE1-CD2 4.16Å; Y275-L279 WeakPolarHBondContact O-CB 3.31Å; Y275-L279 PolarHBondContact O-N 2.91Å; L276-L279 HydrophobicContact CD1-CD2 4.29Å; L276-L279 PolarHBondContact O-N 2.9Å; L279-T281 VanDerWaalsContact C-N 3.33Å; L279-T281 PolarHBondContact O-N 2.9Å; L279-F282 PolarHBondContact O-N 3.22Å; L279-I283 HydrophobicContact CD1-CD1 4.5Å; L279-I283 HydrophobicContact CG-CD1 4.03Å; L279-I283 VanDerWaalsContact O-CG1 3.25Å; L279-I283 WeakPolarHBondContact O-CG1 3.33Å; L279-I283 PolarHBondContact O-N 2.89Å |
| 280 | I | 95.9 | Very high | 93.1 | Very high | 102 Ų | 102 | 76.5 Ų | 76.5 | 52% | 0.523 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.8 | -43.1 | 177.9 | -67.3 | 165.4 | 0 | 0 | 0 | 110.9 | L276 F278 I283 F284 | L276-I280 HydrophobicContact CD1-CD1 4.49Å; L276-I280 HydrophobicContact CG-CD1 4.23Å; L276-I280 WeakPolarHBondContact O-CG1 3.27Å; L276-I280 PolarHBondContact O-N 3.3Å; F278-I280 VanDerWaalsContact C-N 3.32Å; F278-I280 PolarHBondContact O-N 3.33Å; I280-I283 PolarHBondContact O-N 3.38Å; I280-F284 PolarHBondContact O-N 3.06Å |
| 281 | T | 95 | Very high | 93.5 | Very high | 73 Ų | 73 | 78 Ų | 78 | 45% | 0.448 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60.9 | -46.9 | 178 | -56.4 | 0 | 0 | 0 | 0 | 111 | A277 F278 L279 F284 I285 | A277-T281 PolarHBondContact O-N 3.47Å; A277-T281 PolarHBondContact O-OG1 3.42Å; F278-T281 WeakPolarHBondContact O-CA 3.47Å; F278-T281 WeakPolarHBondContact O-CB 3.22Å; F278-T281 PolarHBondContact O-N 2.85Å; L279-T281 VanDerWaalsContact C-N 3.33Å; L279-T281 PolarHBondContact O-N 2.9Å; T281-F284 PolarHBondContact O-N 2.7Å; T281-I285 HydrophobicContact CG2-CD1 3.9Å; T281-I285 VanDerWaalsContact O-CG1 3.32Å; T281-I285 WeakPolarHBondContact O-CG1 3.3Å; T281-I285 PolarHBondContact O-N 2.88Å |
| 282 | F | 95.1 | Very high | 93.8 | Very high | 43 Ų | 43 | 82.4 Ų | 82.4 | 19% | 0.189 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -67.4 | -37 | 177.1 | -82.5 | -80.6 | 0 | 0 | 0 | 112.6 | A35 P36 V39 F278 L279 F284 I285 M286 | A35-F282 HydrophobicContact CB-CD1 3.86Å; A35-F282 HydrophobicContact CB-CD2 4.45Å; A35-F282 HydrophobicContact CB-CE1 3.43Å; A35-F282 VanDerWaalsContact CB-CE1 3.43Å; A35-F282 HydrophobicContact CB-CE2 4.08Å; A35-F282 HydrophobicContact CB-CG 4.36Å; A35-F282 HydrophobicContact CB-CZ 3.55Å; P36-F282 HydrophobicContact CB-CD2 4.48Å; P36-F282 HydrophobicContact CG-CB 4.4Å; P36-F282 HydrophobicContact CG-CD2 3.7Å; P36-F282 HydrophobicContact CG-CE2 4.33Å; P36-F282 HydrophobicContact CG-CG 4.26Å; V39-F282 HydrophobicContact CG2-CE2 4.15Å; V39-F282 HydrophobicContact CG2-CZ 4.16Å; F278-F282 HydrophobicContact CB-CD2 4.4Å; F278-F282 VanDerWaalsContact O-CD2 3.26Å; F278-F282 WeakPolarHBondContact O-CD2 3.28Å; F278-F282 PolarHBondContact O-N 3.2Å; L279-F282 PolarHBondContact O-N 3.22Å; F282-F284 VanDerWaalsContact C-N 3.3Å; F282-F284 PolarHBondContact O-N 3.47Å; F282-I285 PolarHBondContact O-N 3.38Å; F282-M286 WeakPolarHBondContact O-CB 3.3Å; F282-M286 WeakPolarHBondContact O-CG 3.2Å; F282-M286 PolarHBondContact O-N 2.91Å |
| 283 | I | 96.1 | Very high | 93.9 | Very high | 81 Ų | 81 | 75.7 Ų | 75.7 | 42% | 0.415 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -58 | -45.3 | 172.1 | -72.7 | 167 | 0 | 0 | 0 | 110.3 | I32 L279 I280 K287 | I32-I283 HydrophobicContact CG2-CD1 4.45Å; I32-I283 HydrophobicContact CG2-CG1 3.62Å; L279-I283 HydrophobicContact CD1-CD1 4.5Å; L279-I283 HydrophobicContact CG-CD1 4.03Å; L279-I283 VanDerWaalsContact O-CG1 3.25Å; L279-I283 WeakPolarHBondContact O-CG1 3.33Å; L279-I283 PolarHBondContact O-N 2.89Å; I280-I283 PolarHBondContact O-N 3.38Å; I283-K287 WeakPolarHBondContact O-CB 3.15Å; I283-K287 PolarHBondContact O-N 3.22Å |
| 284 | F | 96.4 | Very high | 94 | Very high | 130 Ų | 130 | 71.3 Ų | 71.3 | 57% | 0.57 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -64.1 | -49.6 | 179.3 | -179 | -100.2 | 0 | 0 | 0 | 112 | I280 T281 F282 M286 K287 L288 | I280-F284 PolarHBondContact O-N 3.06Å; T281-F284 PolarHBondContact O-N 2.7Å; F282-F284 VanDerWaalsContact C-N 3.3Å; F282-F284 PolarHBondContact O-N 3.47Å; F284-M286 PolarHBondContact O-N 3.47Å; F284-K287 WeakPolarHBondContact O-CB 3.49Å; F284-K287 PolarHBondContact O-N 3.28Å; F284-L288 HydrophobicContact CD1-CD1 3.99Å; F284-L288 HydrophobicContact CE1-CD1 3.49Å; F284-L288 VanDerWaalsContact CE1-CD1 3.49Å; F284-L288 HydrophobicContact CE1-CG 4.31Å; F284-L288 HydrophobicContact CZ-CD1 3.94Å; F284-L288 HydrophobicContact CZ-CG 4.42Å; F284-L288 PolarHBondContact O-N 3.45Å |
| 285 | I | 95.9 | Very high | 93.9 | Very high | 73 Ų | 73 | 71.1 Ų | 71.1 | 37% | 0.374 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -59.5 | -47.7 | 178.1 | -67.4 | 166.9 | 0 | 0 | 0 | 110.6 | T281 F282 K287 L288 I289 | T281-I285 HydrophobicContact CG2-CD1 3.9Å; T281-I285 VanDerWaalsContact O-CG1 3.32Å; T281-I285 WeakPolarHBondContact O-CG1 3.3Å; T281-I285 PolarHBondContact O-N 2.88Å; F282-I285 PolarHBondContact O-N 3.38Å; I285-K287 VanDerWaalsContact C-N 3.31Å; I285-K287 PolarHBondContact O-N 3.2Å; I285-L288 WeakPolarHBondContact O-CB 3.46Å; I285-L288 PolarHBondContact O-N 3.26Å; I285-L288 VanDerWaalsContact O-N 3.15Å; I285-I289 HydrophobicContact CG2-CD1 3.85Å; I285-I289 WeakPolarHBondContact O-CG1 3.27Å; I285-I289 PolarHBondContact O-N 3.24Å |
| 286 | M | 94.8 | Very high | 93.7 | Very high | 18 Ų | 18 | 73.3 Ų | 73.3 | 9% | 0.089 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -70.4 | -29.2 | -178.5 | -65.7 | -58.8 | -69 | 0 | 0 | 112.1 | T28 V31 I32 F282 F284 I289 R290 | T28-M286 HydrophobicContact CG2-CE 3.33Å; V31-M286 HydrophobicContact CB-CE 4.34Å; V31-M286 HydrophobicContact CG1-CE 4.33Å; V31-M286 HydrophobicContact CG1-SD 4.17Å; I32-M286 HydrophobicContact CD1-CB 3.76Å; I32-M286 HydrophobicContact CD1-CG 4.21Å; I32-M286 HydrophobicContact CG1-CB 3.77Å; I32-M286 HydrophobicContact CG1-CG 3.65Å; F282-M286 WeakPolarHBondContact O-CB 3.3Å; F282-M286 WeakPolarHBondContact O-CG 3.2Å; F282-M286 PolarHBondContact O-N 2.91Å; F284-M286 PolarHBondContact O-N 3.47Å; M286-I289 PolarHBondContact O-N 3.25Å; M286-I289 HydrophobicContact SD-CD1 3.79Å; M286-R290 VanDerWaalsContact O-CB 3.3Å; M286-R290 WeakPolarHBondContact O-CB 3.47Å; M286-R290 WeakPolarHBondContact O-CG 3.33Å; M286-R290 PolarHBondContact O-N 3.37Å |
| 287 | K | 93.6 | Very high | 93.3 | Very high | 128 Ų | 128 | 77.7 Ų | 77.7 | 56% | 0.557 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -64 | -42.6 | 169.6 | -174.6 | 177.8 | -179.7 | 179.6 | 0 | 111.4 | I283 F284 I285 R290 N291 | I283-K287 WeakPolarHBondContact O-CB 3.15Å; I283-K287 PolarHBondContact O-N 3.22Å; F284-K287 WeakPolarHBondContact O-CB 3.49Å; F284-K287 PolarHBondContact O-N 3.28Å; I285-K287 VanDerWaalsContact C-N 3.31Å; I285-K287 PolarHBondContact O-N 3.2Å; K287-R290 PolarHBondContact O-N 3.23Å; K287-N291 WeakPolarHBondContact O-CB 3.46Å; K287-N291 PolarHBondContact O-N 2.91Å; K287-N291 PolarHBondContact O-OD1 3.02Å |
| 288 | L | 94.7 | Very high | 93 | Very high | 94 Ų | 94 | 80.4 Ų | 80.4 | 49% | 0.492 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61.6 | -46.6 | 174.7 | -70.1 | 171.3 | 0 | 0 | 0 | 111.6 | F284 I285 N291 F292 | F284-L288 HydrophobicContact CD1-CD1 3.99Å; F284-L288 HydrophobicContact CE1-CD1 3.49Å; F284-L288 VanDerWaalsContact CE1-CD1 3.49Å; F284-L288 HydrophobicContact CE1-CG 4.31Å; F284-L288 HydrophobicContact CZ-CD1 3.94Å; F284-L288 HydrophobicContact CZ-CG 4.42Å; F284-L288 PolarHBondContact O-N 3.45Å; I285-L288 WeakPolarHBondContact O-CB 3.46Å; I285-L288 PolarHBondContact O-N 3.26Å; I285-L288 VanDerWaalsContact O-N 3.15Å; L288-N291 PolarHBondContact O-N 3.35Å; L288-F292 PolarHBondContact O-N 3.49Å |
| 289 | I | 94.2 | Very high | 92.7 | Very high | 71 Ų | 71 | 78 Ų | 78 | 36% | 0.364 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.9 | -46.2 | 178.4 | -66.2 | 166.9 | 0 | 0 | 0 | 110.8 | F24 I285 M286 N291 F292 V293 | F24-I289 HydrophobicContact CZ-CG2 4.28Å; I285-I289 HydrophobicContact CG2-CD1 3.85Å; I285-I289 WeakPolarHBondContact O-CG1 3.27Å; I285-I289 PolarHBondContact O-N 3.24Å; M286-I289 PolarHBondContact O-N 3.25Å; M286-I289 HydrophobicContact SD-CD1 3.79Å; I289-N291 VanDerWaalsContact C-N 3.35Å; I289-N291 PolarHBondContact O-N 3.46Å; I289-F292 WeakPolarHBondContact O-CB 3.38Å; I289-F292 PolarHBondContact O-N 3.17Å; I289-V293 HydrophobicContact CG2-CG2 4.29Å; I289-V293 VanDerWaalsContact O-CG2 3.3Å; I289-V293 WeakPolarHBondContact O-CG2 3.43Å; I289-V293 PolarHBondContact O-N 2.98Å |
| 290 | R | 92.5 | Very high | 92.2 | Very high | 85 Ų | 85 | 81.8 Ų | 81.8 | 32% | 0.321 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.3 | -43.1 | 176.9 | -74.3 | 177.7 | 71.1 | -132.9 | -2.4 | 111.6 | F24 T28 M286 K287 F292 V293 Y294 | F24-R290 HydrophobicContact CE1-CG 4.17Å; T28-R290 HydrophobicContact CG2-CG 4.1Å; M286-R290 VanDerWaalsContact O-CB 3.3Å; M286-R290 WeakPolarHBondContact O-CB 3.47Å; M286-R290 WeakPolarHBondContact O-CG 3.33Å; M286-R290 PolarHBondContact O-N 3.37Å; K287-R290 PolarHBondContact O-N 3.23Å; R290-F292 VanDerWaalsContact C-N 3.29Å; R290-F292 PolarHBondContact O-N 2.91Å; R290-V293 PolarHBondContact O-N 3.21Å; R290-Y294 HydrophobicContact CB-CD2 4.08Å; R290-Y294 HydrophobicContact CB-CE2 4.08Å; R290-Y294 HydrophobicContact CG-CE2 4.19Å; R290-Y294 WeakPolarHBondContact O-CB 3.5Å; R290-Y294 WeakPolarHBondContact O-CD2 3.49Å; R290-Y294 PolarHBondContact O-N 3.25Å |
| 291 | N | 90.9 | Very high | 91.9 | Very high | 99 Ų | 99 | 78.3 Ų | 78.3 | 53% | 0.529 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.1 | -41.1 | 175.9 | -75.5 | -6.4 | 0 | 0 | 0 | 111.6 | K287 L288 I289 G295 | K287-N291 WeakPolarHBondContact O-CB 3.46Å; K287-N291 PolarHBondContact O-N 2.91Å; K287-N291 PolarHBondContact O-OD1 3.02Å; L288-N291 PolarHBondContact O-N 3.35Å; I289-N291 VanDerWaalsContact C-N 3.35Å; I289-N291 PolarHBondContact O-N 3.46Å; N291-G295 WeakPolarHBondContact O-CA 3.27Å; N291-G295 PolarHBondContact O-N 3.15Å |
| 292 | F | 93.1 | Very high | 91.5 | Very high | 128 Ų | 128 | 82.9 Ų | 82.9 | 56% | 0.561 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -64.9 | -47.7 | 175.5 | -179.1 | -95.6 | 0 | 0 | 0 | 112 | L288 I289 R290 N296 L298 | L288-F292 PolarHBondContact O-N 3.49Å; I289-F292 WeakPolarHBondContact O-CB 3.38Å; I289-F292 PolarHBondContact O-N 3.17Å; R290-F292 VanDerWaalsContact C-N 3.29Å; R290-F292 PolarHBondContact O-N 2.91Å; F292-N296 WeakPolarHBondContact CD2-ND2 3.49Å; F292-N296 WeakPolarHBondContact CE2-ND2 3.44Å; F292-N296 WeakPolarHBondContact CZ-ND2 3.34Å; F292-N296 VanDerWaalsContact O-CB 3.27Å; F292-N296 WeakPolarHBondContact O-CB 3.5Å; F292-N296 PolarHBondContact O-N 3.08Å; F292-N296 PolarHBondContact O-ND2 2.94Å; F292-N296 VanDerWaalsContact O-ND2 3.12Å; F292-L298 HydrophobicContact CD1-CD1 4.21Å; F292-L298 HydrophobicContact CE1-CD1 3.89Å |
| 293 | V | 93.4 | Very high | 91 | Very high | 16 Ų | 16 | 86.5 Ų | 86.5 | 10% | 0.097 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -65.4 | -50.3 | -177.1 | 170.6 | 0 | 0 | 0 | 0 | 112 | F24 I289 R290 R297 L298 L299 | F24-V293 HydrophobicContact CD1-CG1 4.32Å; F24-V293 HydrophobicContact CE1-CB 4.15Å; F24-V293 HydrophobicContact CE1-CG1 3.85Å; F24-V293 HydrophobicContact CE1-CG2 4.31Å; F24-V293 HydrophobicContact CZ-CB 4.19Å; F24-V293 HydrophobicContact CZ-CG1 4.13Å; F24-V293 HydrophobicContact CZ-CG2 3.84Å; I289-V293 HydrophobicContact CG2-CG2 4.29Å; I289-V293 VanDerWaalsContact O-CG2 3.3Å; I289-V293 WeakPolarHBondContact O-CG2 3.43Å; I289-V293 PolarHBondContact O-N 2.98Å; R290-V293 PolarHBondContact O-N 3.21Å; V293-R297 PolarHBondContact O-N 2.97Å; V293-L298 HydrophobicContact CG1-CB 4.23Å; V293-L298 HydrophobicContact CG2-CD1 4.34Å; V293-L298 PolarHBondContact O-N 3.14Å; V293-L299 HydrophobicContact CG1-CB 4.45Å; V293-L299 HydrophobicContact CG1-CD1 3.51Å; V293-L299 HydrophobicContact CG1-CG 3.8Å |
| 294 | Y | 91.4 | Very high | 90.4 | Very high | 21 Ų | 21 | 86.1 Ų | 86.1 | 8% | 0.082 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -77.6 | -33.3 | -179.6 | -62.9 | -59.8 | 0 | 0 | 0 | 112.4 | Y13 A21 F24 R290 R297 T301 | Y13-Y294 VanDerWaalsContact CE1-O 3.27Å; Y13-Y294 WeakPolarHBondContact CE1-O 3.4Å; A21-Y294 HydrophobicContact CB-CE1 4.49Å; A21-Y294 PolarHBondContact O-OH 3.1Å; F24-Y294 HydrophobicContact CD1-CE2 4.49Å; F24-Y294 HydrophobicContact CE1-CE2 4.3Å; R290-Y294 HydrophobicContact CB-CD2 4.08Å; R290-Y294 HydrophobicContact CB-CE2 4.08Å; R290-Y294 HydrophobicContact CG-CE2 4.19Å; R290-Y294 WeakPolarHBondContact O-CB 3.5Å; R290-Y294 WeakPolarHBondContact O-CD2 3.49Å; R290-Y294 PolarHBondContact O-N 3.25Å; Y294-R297 PolarHBondContact O-N 3.2Å; Y294-T301 HydrophobicContact CD1-CG2 3.7Å; Y294-T301 HydrophobicContact CE1-CG2 3.71Å |
| 295 | G | 87.7 | Confident | 89.8 | Confident | 41 Ų | 41 | 83.2 Ų | 83.2 | 42% | 0.423 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.1 | -45.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | N291 R297 | N291-G295 WeakPolarHBondContact O-CA 3.27Å; N291-G295 PolarHBondContact O-N 3.15Å; G295-R297 VanDerWaalsContact C-N 3.29Å; G295-R297 PolarHBondContact O-N 3.02Å |
| 296 | N | 88.7 | Confident | 89 | Confident | 93 Ų | 93 | 82.5 Ų | 82.5 | 50% | 0.497 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 3.5 | 176.9 | -66.8 | -42.4 | 0 | 0 | 0 | 114.1 | F292 L298 | F292-N296 WeakPolarHBondContact CD2-ND2 3.49Å; F292-N296 WeakPolarHBondContact CE2-ND2 3.44Å; F292-N296 WeakPolarHBondContact CZ-ND2 3.34Å; F292-N296 VanDerWaalsContact O-CB 3.27Å; F292-N296 WeakPolarHBondContact O-CB 3.5Å; F292-N296 PolarHBondContact O-N 3.08Å; F292-N296 PolarHBondContact O-ND2 2.94Å; F292-N296 VanDerWaalsContact O-ND2 3.12Å; N296-L298 HydrophobicContact CB-CD2 4.43Å; N296-L298 HydrophobicContact CB-CG 4.14Å; N296-L298 PolarHBondContact O-N 3.24Å |
| 297 | R | 86.1 | Confident | 88 | Confident | 172 Ų | 172 | 88 Ų | 88 | 65% | 0.649 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 36.6 | -178.7 | -55.6 | -177.2 | 178.4 | -144.5 | 2.1 | 114 | V293 Y294 G295 L299 | V293-R297 PolarHBondContact O-N 2.97Å; Y294-R297 PolarHBondContact O-N 3.2Å; G295-R297 VanDerWaalsContact C-N 3.29Å; G295-R297 PolarHBondContact O-N 3.02Å; R297-L299 PolarHBondContact O-N 2.71Å |
| 298 | L | 87.9 | Confident | 86.5 | Confident | 112 Ų | 112 | 90.8 Ų | 90.8 | 59% | 0.586 | 45% | 0.452 | S | S | * | . | trans | -65.3 | -21.1 | 175.6 | -60.8 | 180 | 0 | 0 | 0 | 112 | F292 V293 N296 | F292-L298 HydrophobicContact CD1-CD1 4.21Å; F292-L298 HydrophobicContact CE1-CD1 3.89Å; V293-L298 HydrophobicContact CG1-CB 4.23Å; V293-L298 HydrophobicContact CG2-CD1 4.34Å; V293-L298 PolarHBondContact O-N 3.14Å; N296-L298 HydrophobicContact CB-CD2 4.43Å; N296-L298 HydrophobicContact CB-CG 4.14Å; N296-L298 PolarHBondContact O-N 3.24Å | ||
| 299 | L | 88.3 | Confident | 86.1 | Confident | 24 Ų | 24 | 90.6 Ų | 90.6 | 13% | 0.126 | 45% | 0.45 | C | S | . | . | S | Bend | trans | -123.4 | 143.5 | 175.4 | -61.6 | 172.1 | 0 | 0 | 0 | 110.5 | L20 A21 F24 V293 R297 T301 | L20-L299 HydrophobicContact CD2-CD2 3.46Å; L20-L299 VanDerWaalsContact CD2-CD2 3.46Å; L20-L299 HydrophobicContact CG-CD2 4.01Å; A21-L299 HydrophobicContact CB-CB 4.08Å; F24-L299 HydrophobicContact CB-CD1 3.54Å; F24-L299 HydrophobicContact CD1-CD1 3.5Å; F24-L299 VanDerWaalsContact CD1-CD1 3.5Å; F24-L299 HydrophobicContact CD2-CD1 4.23Å; F24-L299 HydrophobicContact CE1-CD1 4.25Å; F24-L299 HydrophobicContact CG-CD1 3.48Å; F24-L299 VanDerWaalsContact CG-CD1 3.48Å; V293-L299 HydrophobicContact CG1-CB 4.45Å; V293-L299 HydrophobicContact CG1-CD1 3.51Å; V293-L299 HydrophobicContact CG1-CG 3.8Å; R297-L299 PolarHBondContact O-N 2.71Å; L299-T301 PolarHBondContact O-N 3.18Å |
| 300 | T | 85.4 | Confident | 85.6 | Confident | 114 Ų | 114 | 91.6 Ų | 91.6 | 70% | 0.699 | 46% | 0.455 | S | S | * | . | trans | -67.5 | 113.6 | -179.7 | 46.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 301 | T | 88.4 | Confident | 85.2 | Confident | 29 Ų | 29 | 92 Ų | 92 | 18% | 0.178 | 46% | 0.462 | C | S | . | . | trans | -141.8 | 149.8 | 178.3 | 51.5 | 0 | 0 | 0 | 0 | 110 | S14 A15 A21 Y294 L299 | S14-T301 WeakPolarHBondContact O-CA 3.06Å; A15-T301 HydrophobicContact CB-CG2 4.4Å; A21-T301 HydrophobicContact CB-CG2 3.94Å; Y294-T301 HydrophobicContact CD1-CG2 3.7Å; Y294-T301 HydrophobicContact CE1-CG2 3.71Å; L299-T301 PolarHBondContact O-N 3.18Å | ||
| 302 | W | 86.3 | Confident | 84.9 | Confident | 169 Ų | 169 | 91.6 Ų | 91.6 | 64% | 0.64 | 46% | 0.458 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 121.8 | 169.9 | 1.4 | 90.4 | 0 | 0 | 0 | 108.5 | S14 | S14-W302 VanDerWaalsContact CB-CD1 3.47Å; S14-W302 PolarHBondContact N-O 3.18Å; S14-W302 PolarHBondContact O-N 2.87Å; S14-W302 PolarHBondContact O-NE1 3.13Å |
| 303 | R | 84.4 | Confident | 84.4 | Confident | 118 Ų | 118 | 89.3 Ų | 89.3 | 45% | 0.445 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 119.4 | 177.1 | 176.6 | 179.3 | 165.3 | 175.9 | -2.4 | 109.2 | I12 Y13 | I12-R303 WeakPolarHBondContact O-CA 3.36Å; Y13-R303 HydrophobicContact CD1-CB 4.47Å; Y13-R303 HydrophobicContact CE1-CB 4.4Å; Y13-R303 HydrophobicContact CE1-CG 4.45Å |
| 304 | T | 84.5 | Confident | 83.8 | Confident | 73 Ų | 73 | 94.2 Ų | 94.2 | 45% | 0.448 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 136.6 | 166.7 | 54.8 | 0 | 0 | 0 | 0 | 109.1 | I12 | I12-T304 WeakPolarHBondContact CB-OG1 3.47Å; I12-T304 PolarHBondContact N-O 3.27Å; I12-T304 PolarHBondContact O-N 3.44Å |
| 305 | V | 82.9 | Confident | 83.3 | Confident | 70 Ų | 70 | 99.4 Ų | 99.4 | 42% | 0.424 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 115.8 | 174 | -177.3 | 0 | 0 | 0 | 0 | 106.3 | V9 L11 N307 | V9-V305 HydrophobicContact CG1-CG1 3.37Å; L11-V305 HydrophobicContact CD2-CG1 4.43Å; L11-V305 HydrophobicContact CD2-CG2 3.92Å; V305-N307 WeakPolarHBondContact CG1-OD1 3.34Å; V305-N307 PolarHBondContact O-N 3.17Å |
| 306 | V | 79.4 | Confident | 82.9 | Confident | 57 Ų | 57 | 103.9 Ų | 103.9 | 35% | 0.345 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 106.5 | 171.9 | -176.5 | 0 | 0 | 0 | 0 | 106.7 | Q10 I12 E308 | Q10-V306 PolarHBondContact O-N 3.21Å; I12-V306 HydrophobicContact CD1-CG2 3.47Å; I12-V306 VanDerWaalsContact CD1-CG2 3.47Å; I12-V306 HydrophobicContact CG1-CG2 4.19Å; V306-E308 PolarHBondContact O-N 2.95Å |
| 307 | N | 74.5 | Confident | 82.4 | Confident | 133 Ų | 133 | 104.8 Ų | 104.8 | 71% | 0.711 | 51% | 0.511 | S | S | * | . | trans | -85.6 | 100.3 | 167.6 | -66.2 | -21.1 | 0 | 0 | 0 | 106.6 | V305 | V305-N307 WeakPolarHBondContact CG1-OD1 3.34Å; V305-N307 PolarHBondContact O-N 3.17Å | ||
| 308 | E | 61.3 | Low | 82.1 | Confident | 187 Ų | 187 | 98.7 Ų | 98.7 | 87% | 0.874 | 50% | 0.498 | S | S | * | . | trans | -68.6 | 0 | 153.2 | -73.9 | -176.7 | 172.9 | 0 | 0 | 110.2 | K7 V306 | K7-E308 PolarHBondContact NZ-O 2.63Å; K7-E308 PolarHBondContact NZ-OXT 3.48Å; V306-E308 PolarHBondContact O-N 2.95Å |
Retrieved 308 of 308 residues in 189.2 ms
(Link to these results)