| 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 | 28 | Very low | 38.5 | Very low | 218 Ų | 218 | 124.4 Ų | 124.4 | 100% | 1.074 | 62% | 0.619 | S | S | * | * | 0 | 99.4 | 0 | -168.6 | 176.7 | -175.4 | 0 | 0 | 107.9 | I3 | M1-I3 HydrophobicContact CE-CD1 4.28Å; M1-I3 HydrophobicContact CE-CG1 4.2Å; M1-I3 HydrophobicContact CG-CG1 3.92Å; M1-I3 PolarHBondContact O-N 3.19Å; M1-I3 HydrophobicContact SD-CD1 4.32Å; M1-I3 HydrophobicContact SD-CG1 4.31Å | |||
| 2 | R | 31.2 | Very low | 39.1 | Very low | 157 Ų | 157 | 127.3 Ų | 127.3 | 59% | 0.592 | 64% | 0.638 | S | S | * | * | trans | -85.7 | 103.2 | 170.4 | -73.5 | -175.8 | 180 | 171.3 | 1.1 | 106.1 | F4 A34 D35 | R2-F4 PolarHBondContact O-N 3.23Å; R2-A34 VanDerWaalsContact NH1-C 3.31Å; R2-A34 VanDerWaalsContact NH1-CB 3.3Å; R2-A34 PolarHBondContact NH1-O 2.72Å; R2-A34 PolarHBondContact NH2-O 3.23Å; R2-D35 IonicContact CZ-OD1 3.23Å; R2-D35 IonicContact NH1-OD1 2.74Å; R2-D35 PolarHBondContact NH1-OD1 3.47Å | ||
| 3 | I | 34.3 | Very low | 39.8 | Very low | 115 Ų | 115 | 118.9 Ų | 118.9 | 59% | 0.59 | 60% | 0.597 | S | S | * | * | trans | -82.3 | 108.7 | 177.3 | -59.4 | 174.9 | 0 | 0 | 0 | 106.2 | M1 M5 | M1-I3 HydrophobicContact CE-CD1 4.28Å; M1-I3 HydrophobicContact CE-CG1 4.2Å; M1-I3 HydrophobicContact CG-CG1 3.92Å; M1-I3 PolarHBondContact O-N 3.19Å; M1-I3 HydrophobicContact SD-CD1 4.32Å; M1-I3 HydrophobicContact SD-CG1 4.31Å; I3-M5 HydrophobicContact CG2-CG 4.14Å; I3-M5 PolarHBondContact O-N 2.67Å; I3-M5 VanDerWaalsContact O-N 3.16Å | ||
| 4 | F | 39.5 | Very low | 40.4 | Very low | 101 Ų | 101 | 117.6 Ų | 117.6 | 44% | 0.443 | 59% | 0.588 | S | S | . | * | trans | -73.9 | 102.6 | 167 | -62 | -83.3 | 0 | 0 | 0 | 106.8 | R2 F6 L30 | R2-F4 PolarHBondContact O-N 3.23Å; F4-F6 HydrophobicContact CB-CD2 4.45Å; F4-F6 HydrophobicContact CB-CE2 3.75Å; F4-F6 HydrophobicContact CB-CZ 3.79Å; F4-F6 WeakPolarHBondContact O-CD2 3.43Å; F4-F6 PolarHBondContact O-N 3.42Å; F4-L30 HydrophobicContact CE1-CB 4.27Å | ||
| 5 | M | 36.4 | Very low | 41.3 | Very low | 172 Ų | 172 | 114.9 Ų | 114.9 | 85% | 0.847 | 58% | 0.576 | S | S | * | * | trans | -76 | 107.4 | 169.5 | -74.4 | -172.8 | -99.9 | 0 | 0 | 107.3 | I3 | I3-M5 HydrophobicContact CG2-CG 4.14Å; I3-M5 PolarHBondContact O-N 2.67Å; I3-M5 VanDerWaalsContact O-N 3.16Å | ||
| 6 | F | 44.7 | Very low | 42.8 | Very low | 109 Ų | 109 | 110.9 Ų | 110.9 | 48% | 0.478 | 57% | 0.573 | S | S | . | * | P | Polyproline II helix | trans | -81.6 | 128.4 | 170.5 | -61.1 | -82.4 | 0 | 0 | 0 | 107.8 | F4 L30 | F4-F6 HydrophobicContact CB-CD2 4.45Å; F4-F6 HydrophobicContact CB-CE2 3.75Å; F4-F6 HydrophobicContact CB-CZ 3.79Å; F4-F6 WeakPolarHBondContact O-CD2 3.43Å; F4-F6 PolarHBondContact O-N 3.42Å; F6-L30 HydrophobicContact CE1-CD1 4.33Å |
| 7 | P | 41.9 | Very low | 44.5 | Very low | 57 Ų | 57 | 106.5 Ų | 106.5 | 37% | 0.37 | 56% | 0.556 | S | S | . | * | P | Polyproline II helix | trans | -61.1 | 143.1 | -178.6 | 23.2 | -32.5 | 0 | 0 | 0 | 111.6 | M48 | P7-M48 HydrophobicContact CB-CE 4.19Å; P7-M48 HydrophobicContact CG-CB 4.14Å; P7-M48 HydrophobicContact CG-CE 3.78Å |
| 8 | S | 38.1 | Very low | 46.9 | Very low | 98 Ų | 98 | 100.6 Ų | 100.6 | 69% | 0.685 | 53% | 0.525 | S | S | * | . | P | Polyproline II helix | trans | -64.4 | 150.6 | 169.9 | 175.7 | 0 | 0 | 0 | 0 | 111 | N10 | S8-N10 PolarHBondContact O-N 3.11Š|
| 9 | K | 44.4 | Very low | 48.9 | Very low | 155 Ų | 155 | 97.3 Ų | 97.3 | 67% | 0.674 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -53.6 | 23 | -172.9 | -77.9 | -161.4 | 170.3 | -169.6 | 0 | 119.4 | E14 | K9-E14 WeakPolarHBondContact CA-OE1 3.09Å; K9-E14 WeakPolarHBondContact CB-OE1 3.47Å; K9-E14 VanDerWaalsContact CD-OE1 3.32Å; K9-E14 WeakPolarHBondContact CD-OE1 3.47Å; K9-E14 WeakPolarHBondContact CG-OE1 3.28Å; K9-E14 WeakPolarHBondContact O-CG 3.24Å; K9-E14 VanDerWaalsContact O-OE2 3.12Å |
| 10 | N | 41.1 | Very low | 50.9 | Low | 149 Ų | 149 | 96.3 Ų | 96.3 | 80% | 0.797 | 51% | 0.506 | S | S | * | . | trans | -115.4 | 35.5 | -165 | -80.9 | 8.7 | 0 | 0 | 0 | 116.6 | S8 | S8-N10 PolarHBondContact O-N 3.11Š| ||
| 11 | S | 43.8 | Very low | 52.7 | Low | 37 Ų | 37 | 94.5 Ų | 94.5 | 26% | 0.259 | 50% | 0.497 | S | S | . | . | S | Bend | trans | -148.5 | 153.7 | 172.5 | 52.1 | 0 | 0 | 0 | 0 | 114 | L13 E14 M48 | S11-L13 PolarHBondContact O-N 3.47Å; S11-E14 PolarHBondContact O-N 3.26Å; S11-M48 WeakPolarHBondContact OG-CG 3.38Å; S11-M48 PolarHBondContact OG-SD 2.82Å |
| 12 | D | 46 | Very low | 55.7 | Low | 159 Ų | 159 | 84.4 Ų | 84.4 | 85% | 0.85 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -32.7 | -0.7 | -174.3 | -51.2 | -29.9 | 0 | 0 | 0 | 120.5 | ||
| 13 | L | 48 | Very low | 58.4 | Low | 19 Ų | 19 | 78.8 Ų | 78.8 | 10% | 0.099 | 43% | 0.427 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | 3.8 | 172.5 | -65.5 | 165.2 | 0 | 0 | 0 | 113.2 | S11 D15 F19 P44 T46 M48 L104 | S11-L13 PolarHBondContact O-N 3.47Å; L13-D15 PolarHBondContact O-N 3.26Å; L13-F19 HydrophobicContact CB-CD2 4.35Å; L13-F19 HydrophobicContact CB-CE2 4.37Å; L13-F19 WeakPolarHBondContact O-CD2 3.08Å; L13-P44 HydrophobicContact CD2-CG 4.28Å; L13-T46 HydrophobicContact CD1-CG2 3.61Å; L13-T46 WeakPolarHBondContact CD1-OG1 3.5Å; L13-M48 HydrophobicContact CB-SD 4Å; L13-M48 HydrophobicContact CD1-CG 4.49Å; L13-M48 HydrophobicContact CD1-SD 3.66Å; L13-M48 HydrophobicContact CG-SD 4.3Å; L13-L104 HydrophobicContact CB-CD2 4.44Å; L13-L104 HydrophobicContact CD2-CD2 3.2Å; L13-L104 HydrophobicContact CG-CD2 4.35Å |
| 14 | E | 47.5 | Very low | 61.1 | Low | 101 Ų | 101 | 79 Ų | 79 | 47% | 0.472 | 43% | 0.425 | S | S | . | . | trans | -67.9 | 36.2 | 171 | -77.8 | -136 | 135.5 | 0 | 0 | 113.6 | K9 S11 G16 | K9-E14 WeakPolarHBondContact CA-OE1 3.09Å; K9-E14 WeakPolarHBondContact CB-OE1 3.47Å; K9-E14 VanDerWaalsContact CD-OE1 3.32Å; K9-E14 WeakPolarHBondContact CD-OE1 3.47Å; K9-E14 WeakPolarHBondContact CG-OE1 3.28Å; K9-E14 WeakPolarHBondContact O-CG 3.24Å; K9-E14 VanDerWaalsContact O-OE2 3.12Å; S11-E14 PolarHBondContact O-N 3.26Å; E14-G16 PolarHBondContact O-N 3.4Å | ||
| 15 | D | 53.9 | Low | 63.5 | Low | 77 Ų | 77 | 76.8 Ų | 76.8 | 41% | 0.412 | 42% | 0.416 | S | S | . | . | trans | -81.1 | 68.6 | 178.2 | -68.1 | -25.5 | 0 | 0 | 0 | 111.4 | L13 S102 | L13-D15 PolarHBondContact O-N 3.26Å; D15-S102 WeakPolarHBondContact CB-OG 3.37Å; D15-S102 PolarHBondContact O-OG 3.22Å; D15-S102 WeakPolarHBondContact OD2-CB 3.35Å | ||
| 16 | G | 65.6 | Low | 66.2 | Low | 51 Ų | 51 | 68.9 Ų | 68.9 | 53% | 0.526 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.6 | -146.6 | 161.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | E14 C18 F19 | E14-G16 PolarHBondContact O-N 3.4Å; G16-C18 PolarHBondContact O-N 3.34Å; G16-F19 PolarHBondContact O-N 3.2Å |
| 17 | A | 72.9 | Confident | 68.4 | Low | 35 Ų | 35 | 70 Ų | 70 | 29% | 0.289 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -18.7 | -164.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | G126 | A17-G126 WeakPolarHBondContact CB-O 3.24Š|
| 18 | C | 86.2 | Confident | 70.8 | Confident | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -79.6 | -32.1 | -176.3 | -92.6 | 0 | 0 | 0 | 0 | 114.8 | G16 I21 F22 C121 F122 S123 C128 | G16-C18 PolarHBondContact O-N 3.34Å; C18-I21 PolarHBondContact O-N 3.25Å; C18-F22 WeakPolarHBondContact O-CB 3.14Å; C18-F22 PolarHBondContact O-N 3.44Å; C18-C121 HydrophobicContact CB-CB 4.33Å; C18-F122 PolarHBondContact SG-O 2.97Å; C18-F122 VanDerWaalsContact SG-O 3.38Å; C18-S123 WeakPolarHBondContact SG-CA 3.45Å; C18-S123 PolarHBondContact SG-N 2.82Å; C18-S123 VanDerWaalsContact SG-N 3.39Å; C18-C128 WeakPolarHBondContact CA-SG 3.06Å; C18-C128 HydrophobicContact CB-CB 3.96Å; C18-C128 WeakPolarHBondContact CB-SG 3.12Å; C18-C128 WeakPolarHBondContact SG-CA 3.44Å; C18-C128 WeakPolarHBondContact SG-CB 3.36Å; C18-C128 CovalentContact SG-SG 2.04Å; C18-C128 PolarHBondContact SG-SG 2.86Å |
| 19 | F | 86.2 | Confident | 73.5 | Confident | 38 Ų | 38 | 67.9 Ų | 67.9 | 17% | 0.167 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -55.7 | -53.2 | -176.1 | -177.5 | -94.2 | 0 | 0 | 0 | 113.8 | L13 G16 I21 F22 E23 M48 Y49 L104 | L13-F19 HydrophobicContact CB-CD2 4.35Å; L13-F19 HydrophobicContact CB-CE2 4.37Å; L13-F19 WeakPolarHBondContact O-CD2 3.08Å; G16-F19 PolarHBondContact O-N 3.2Å; F19-I21 PolarHBondContact O-N 3.3Å; F19-F22 PolarHBondContact O-N 3.49Å; F19-E23 PolarHBondContact O-N 3.49Å; F19-M48 HydrophobicContact CE2-CE 4.19Å; F19-M48 HydrophobicContact CZ-CE 4Å; F19-Y49 HydrophobicContact CE2-CE2 4.37Å; F19-Y49 VanDerWaalsContact CE2-OH 3.27Å; F19-Y49 WeakPolarHBondContact CE2-OH 3.18Å; F19-Y49 WeakPolarHBondContact CZ-OH 3.03Å; F19-L104 HydrophobicContact CB-CD1 4.36Å; F19-L104 HydrophobicContact CD2-CD1 4.25Å |
| 20 | P | 87.8 | Confident | 75.7 | Confident | 77 Ų | 77 | 62.3 Ų | 62.3 | 50% | 0.5 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.4 | -31.7 | 179.8 | 24.7 | -35.1 | 0 | 0 | 0 | 112.8 | H24 | P20-H24 WeakPolarHBondContact O-CB 3Å; P20-H24 PolarHBondContact O-N 3.11Å |
| 21 | I | 89.1 | Confident | 78.2 | Confident | 59 Ų | 59 | 62.3 Ų | 62.3 | 30% | 0.303 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -70.7 | -45.1 | 177.5 | -67.1 | 171.4 | 0 | 0 | 0 | 110.2 | C18 F19 H24 Q25 C128 R130 | C18-I21 PolarHBondContact O-N 3.25Å; F19-I21 PolarHBondContact O-N 3.3Å; I21-H24 WeakPolarHBondContact O-CB 3.46Å; I21-H24 PolarHBondContact O-N 2.9Å; I21-Q25 WeakPolarHBondContact O-CG 3.44Å; I21-Q25 PolarHBondContact O-N 3.16Å; I21-Q25 VanDerWaalsContact O-N 3.08Å; I21-C128 HydrophobicContact CB-CB 4.4Å; I21-C128 HydrophobicContact CD1-CB 3.49Å; I21-C128 VanDerWaalsContact CD1-CB 3.49Å; I21-C128 HydrophobicContact CG2-CB 4.42Å; I21-R130 HydrophobicContact CG2-CG 4.38Å |
| 22 | F | 90.6 | Very high | 80.5 | Confident | 7 Ų | 7 | 62.5 Ų | 62.5 | 3% | 0.031 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.5 | -46.9 | 176 | -178.8 | -103.7 | 0 | 0 | 0 | 111 | C18 F19 H24 Q25 I26 Y42 L104 A106 I119 C121 | C18-F22 WeakPolarHBondContact O-CB 3.14Å; C18-F22 PolarHBondContact O-N 3.44Å; F19-F22 PolarHBondContact O-N 3.49Å; F22-H24 VanDerWaalsContact C-N 3.31Å; F22-H24 PolarHBondContact O-N 3.1Å; F22-Q25 WeakPolarHBondContact O-CB 3.43Å; F22-Q25 PolarHBondContact O-N 3.49Å; F22-I26 HydrophobicContact CD1-CG1 4.31Å; F22-I26 HydrophobicContact CE1-CG1 3.96Å; F22-I26 HydrophobicContact CE2-CD1 4.41Å; F22-I26 HydrophobicContact CE2-CG1 4.33Å; F22-I26 HydrophobicContact CZ-CD1 4.18Å; F22-I26 HydrophobicContact CZ-CG1 3.98Å; F22-I26 WeakPolarHBondContact O-CG1 3.36Å; F22-I26 PolarHBondContact O-N 3.49Å; F22-Y42 AromaticContact CE1-CD1 3.91Å; F22-Y42 HydrophobicContact CE1-CD1 3.91Å; F22-Y42 AromaticContact CE1-CE1 3.98Å; F22-Y42 HydrophobicContact CE1-CE1 3.98Å; F22-Y42 HydrophobicContact CZ-CD1 4.03Å; F22-Y42 HydrophobicContact CZ-CE1 4.3Å; F22-L104 HydrophobicContact CB-CD1 4.22Å; F22-L104 HydrophobicContact CD1-CB 4.42Å; F22-L104 HydrophobicContact CD1-CD1 4.37Å; F22-L104 HydrophobicContact CD2-CB 4.19Å; F22-L104 HydrophobicContact CE2-CB 4.44Å; F22-L104 HydrophobicContact CG-CB 4.17Å; F22-L104 HydrophobicContact CG-CD1 4.35Å; F22-A106 HydrophobicContact CE2-CB 4.3Å; F22-A106 HydrophobicContact CZ-CB 3.74Å; F22-I119 HydrophobicContact CD2-CG2 4.32Å; F22-I119 HydrophobicContact CE2-CG2 4.26Å; F22-C121 HydrophobicContact CB-CB 4.38Å; F22-C121 HydrophobicContact CD2-CB 4.22Å |
| 23 | E | 88.3 | Confident | 82.7 | Confident | 38 Ų | 38 | 57.1 Ų | 57.1 | 18% | 0.178 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.5 | -42.5 | 176.2 | -164 | -151.4 | 128.1 | 0 | 0 | 111.9 | F19 Q25 I26 R27 | F19-E23 PolarHBondContact O-N 3.49Å; E23-Q25 VanDerWaalsContact C-N 3.27Å; E23-Q25 PolarHBondContact O-N 2.72Å; E23-I26 PolarHBondContact O-N 2.91Å; E23-I26 VanDerWaalsContact O-N 3.14Å; E23-R27 WeakPolarHBondContact O-CB 3.38Å; E23-R27 PolarHBondContact O-N 3.49Å; E23-R27 IonicContact OE1-CZ 2.75Å; E23-R27 IonicContact OE1-NH2 2.83Å; E23-R27 PolarHBondContact OE1-NH2 3.25Å |
| 24 | H | 90.7 | Very high | 84.7 | Confident | 120 Ų | 120 | 57.9 Ų | 57.9 | 56% | 0.556 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -60.8 | -35 | 174.5 | -178.1 | -73.1 | 0 | 0 | 0 | 112.5 | P20 I21 F22 P28 | P20-H24 WeakPolarHBondContact O-CB 3Å; P20-H24 PolarHBondContact O-N 3.11Å; I21-H24 WeakPolarHBondContact O-CB 3.46Å; I21-H24 PolarHBondContact O-N 2.9Å; F22-H24 VanDerWaalsContact C-N 3.31Å; F22-H24 PolarHBondContact O-N 3.1Å; H24-P28 WeakPolarHBondContact O-CD 3.07Å |
| 25 | Q | 91.1 | Very high | 86.8 | Confident | 54 Ų | 54 | 56.7 Ų | 56.7 | 25% | 0.252 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -70.6 | -34.5 | 175 | -62.9 | -50.4 | -76.1 | 0 | 0 | 112.4 | I21 F22 E23 P28 Y29 I119 R130 | I21-Q25 WeakPolarHBondContact O-CG 3.44Å; I21-Q25 PolarHBondContact O-N 3.16Å; I21-Q25 VanDerWaalsContact O-N 3.08Å; F22-Q25 WeakPolarHBondContact O-CB 3.43Å; F22-Q25 PolarHBondContact O-N 3.49Å; E23-Q25 VanDerWaalsContact C-N 3.27Å; E23-Q25 PolarHBondContact O-N 2.72Å; Q25-P28 VanDerWaalsContact O-CD 3.3Å; Q25-P28 WeakPolarHBondContact O-CD 3.46Å; Q25-Y29 VanDerWaalsContact O-CE2 3.26Å; Q25-Y29 WeakPolarHBondContact O-CE2 3.35Å; Q25-I119 HydrophobicContact CB-CD1 4.36Å; Q25-I119 HydrophobicContact CB-CG2 4.26Å; Q25-I119 HydrophobicContact CG-CG2 4.45Å; Q25-R130 VanDerWaalsContact CD-NH1 3.31Å |
| 26 | I | 92.3 | Very high | 88.6 | Confident | 7 Ų | 7 | 53.2 Ų | 53.2 | 4% | 0.036 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -79.7 | -30.7 | -177.6 | -63.8 | -59.7 | 0 | 0 | 0 | 112.3 | F22 E23 Y29 L30 I40 Y42 A106 V108 I119 | F22-I26 HydrophobicContact CD1-CG1 4.31Å; F22-I26 HydrophobicContact CE1-CG1 3.96Å; F22-I26 HydrophobicContact CE2-CD1 4.41Å; F22-I26 HydrophobicContact CE2-CG1 4.33Å; F22-I26 HydrophobicContact CZ-CD1 4.18Å; F22-I26 HydrophobicContact CZ-CG1 3.98Å; F22-I26 WeakPolarHBondContact O-CG1 3.36Å; F22-I26 PolarHBondContact O-N 3.49Å; E23-I26 PolarHBondContact O-N 2.91Å; E23-I26 VanDerWaalsContact O-N 3.14Å; I26-Y29 WeakPolarHBondContact O-CD2 3.37Å; I26-Y29 PolarHBondContact O-N 2.8Å; I26-L30 HydrophobicContact CG2-CD2 4.12Å; I26-I40 HydrophobicContact CG2-CD1 3.69Å; I26-Y42 HydrophobicContact CG1-CE1 4.42Å; I26-Y42 HydrophobicContact CG2-CE1 4.41Å; I26-A106 HydrophobicContact CD1-CB 3.99Å; I26-V108 HydrophobicContact CD1-CG2 4.13Å; I26-I119 HydrophobicContact CD1-CD1 4.09Å |
| 27 | R | 91.6 | Very high | 90 | Very high | 133 Ų | 133 | 53.1 Ų | 53.1 | 50% | 0.502 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.7 | -44.1 | -176 | -173.6 | 177.6 | -62.9 | -170.4 | -1.1 | 115.6 | E23 Y29 L30 | E23-R27 WeakPolarHBondContact O-CB 3.38Å; E23-R27 PolarHBondContact O-N 3.49Å; E23-R27 IonicContact OE1-CZ 2.75Å; E23-R27 IonicContact OE1-NH2 2.83Å; E23-R27 PolarHBondContact OE1-NH2 3.25Å; R27-Y29 PolarHBondContact O-N 3.25Å; R27-L30 WeakPolarHBondContact O-CB 3.31Å; R27-L30 PolarHBondContact O-N 2.88Å |
| 28 | P | 92.5 | Very high | 91.1 | Very high | 85 Ų | 85 | 51.6 Ų | 51.6 | 55% | 0.552 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -30.7 | 179.5 | -24.2 | 35.9 | 0 | 0 | 0 | 113.5 | H24 Q25 | H24-P28 WeakPolarHBondContact O-CD 3.07Å; Q25-P28 VanDerWaalsContact O-CD 3.3Å; Q25-P28 WeakPolarHBondContact O-CD 3.46Å |
| 29 | Y | 94 | Very high | 91.5 | Very high | 25 Ų | 25 | 51.8 Ų | 51.8 | 10% | 0.098 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -83 | -17.1 | -178.2 | -51.8 | -76.4 | 0 | 0 | 0 | 113.1 | Q25 I26 R27 K31 E32 V33 V108 E117 I119 | Q25-Y29 VanDerWaalsContact O-CE2 3.26Å; Q25-Y29 WeakPolarHBondContact O-CE2 3.35Å; I26-Y29 WeakPolarHBondContact O-CD2 3.37Å; I26-Y29 PolarHBondContact O-N 2.8Å; R27-Y29 PolarHBondContact O-N 3.25Å; Y29-K31 PolarHBondContact O-N 2.85Å; Y29-E32 WeakPolarHBondContact O-CB 3.29Å; Y29-E32 PolarHBondContact O-N 3.35Å; Y29-V33 WeakPolarHBondContact O-CG2 3.37Å; Y29-V33 PolarHBondContact O-N 2.85Å; Y29-V108 HydrophobicContact CD1-CG1 3.6Å; Y29-V108 HydrophobicContact CD2-CG1 4.16Å; Y29-V108 HydrophobicContact CD2-CG2 4.31Å; Y29-V108 HydrophobicContact CE1-CG1 3.97Å; Y29-V108 HydrophobicContact CE2-CG2 4.47Å; Y29-V108 HydrophobicContact CG-CG1 3.69Å; Y29-E117 VanDerWaalsContact OH-CD 3.31Å; Y29-E117 PolarHBondContact OH-OE1 2.85Å; Y29-E117 PolarHBondContact OH-OE2 2.84Å; Y29-I119 HydrophobicContact CE2-CD1 3.98Å |
| 30 | L | 91.6 | Very high | 91.9 | Very high | 38 Ų | 38 | 50.1 Ų | 50.1 | 20% | 0.199 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61 | -29.9 | -177.7 | -64.8 | -179.4 | 0 | 0 | 0 | 113 | F4 F6 I26 R27 A34 | F4-L30 HydrophobicContact CE1-CB 4.27Å; F6-L30 HydrophobicContact CE1-CD1 4.33Å; I26-L30 HydrophobicContact CG2-CD2 4.12Å; R27-L30 WeakPolarHBondContact O-CB 3.31Å; R27-L30 PolarHBondContact O-N 2.88Å; L30-A34 WeakPolarHBondContact O-CB 3.09Å; L30-A34 PolarHBondContact O-N 2.66Å |
| 31 | K | 91.7 | Very high | 92.2 | Very high | 148 Ų | 148 | 48.9 Ų | 48.9 | 64% | 0.643 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -67.3 | -47.6 | 172.5 | -175.1 | -177.2 | 174.9 | -172.6 | 0 | 111.1 | Y29 V33 A34 D35 | Y29-K31 PolarHBondContact O-N 2.85Å; K31-V33 VanDerWaalsContact C-N 3.3Å; K31-V33 PolarHBondContact O-N 2.62Å; K31-A34 PolarHBondContact O-N 3.42Å; K31-A34 VanDerWaalsContact O-N 3.11Å; K31-D35 PolarHBondContact O-N 2.78Å |
| 32 | E | 93.1 | Very high | 92.3 | Very high | 41 Ų | 41 | 46.7 Ų | 46.7 | 19% | 0.192 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.2 | -38.5 | 178.4 | -61 | 179.8 | -168.2 | 0 | 0 | 111.3 | Y29 D35 G36 D37 T38 R110 | Y29-E32 WeakPolarHBondContact O-CB 3.29Å; Y29-E32 PolarHBondContact O-N 3.35Å; E32-D35 PolarHBondContact O-N 3.5Å; E32-G36 PolarHBondContact O-N 2.87Å; E32-G36 VanDerWaalsContact O-N 3.1Å; E32-D37 PolarHBondContact O-N 2.96Å; E32-T38 HydrophobicContact CB-CG2 4.47Å; E32-T38 WeakPolarHBondContact CB-OG1 2.9Å; E32-T38 PolarHBondContact O-N 2.81Å; E32-T38 PolarHBondContact OE2-OG1 2.81Å; E32-R110 IonicContact OE1-CZ 3.6Å; E32-R110 IonicContact OE1-NE 2.65Å; E32-R110 IonicContact OE1-NH2 2.96Å; E32-R110 PolarHBondContact OE1-NH2 2.84Å; E32-R110 IonicContact OE2-CZ 3.62Å; E32-R110 IonicContact OE2-NE 3Å; E32-R110 PolarHBondContact OE2-NE 2.93Å; E32-R110 IonicContact OE2-NH2 2.63Å; E32-R110 PolarHBondContact OE2-NH2 2.93Å |
| 33 | V | 92.9 | Very high | 92.1 | Very high | 46 Ų | 46 | 48.9 Ų | 48.9 | 28% | 0.279 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.9 | -46 | 172 | 174.3 | 0 | 0 | 0 | 0 | 111.1 | Y29 K31 D35 G36 T38 I40 | Y29-V33 WeakPolarHBondContact O-CG2 3.37Å; Y29-V33 PolarHBondContact O-N 2.85Å; K31-V33 VanDerWaalsContact C-N 3.3Å; K31-V33 PolarHBondContact O-N 2.62Å; V33-D35 PolarHBondContact O-N 3.38Å; V33-G36 PolarHBondContact O-N 2.94Å; V33-T38 WeakPolarHBondContact CA-O 3.1Å; V33-T38 HydrophobicContact CG2-CG2 4.02Å; V33-T38 WeakPolarHBondContact CG2-O 3.29Å; V33-I40 HydrophobicContact CG2-CD1 3.69Å; V33-I40 HydrophobicContact CG2-CG1 3.7Å |
| 34 | A | 89.6 | Confident | 91.7 | Very high | 36 Ų | 36 | 50.9 Ų | 50.9 | 30% | 0.298 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -67.7 | -19.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | R2 L30 K31 | R2-A34 VanDerWaalsContact NH1-C 3.31Å; R2-A34 VanDerWaalsContact NH1-CB 3.3Å; R2-A34 PolarHBondContact NH1-O 2.72Å; R2-A34 PolarHBondContact NH2-O 3.23Å; L30-A34 WeakPolarHBondContact O-CB 3.09Å; L30-A34 PolarHBondContact O-N 2.66Å; K31-A34 PolarHBondContact O-N 3.42Å; K31-A34 VanDerWaalsContact O-N 3.11Å |
| 35 | D | 90.8 | Very high | 90.8 | Very high | 76 Ų | 76 | 49.9 Ų | 49.9 | 41% | 0.406 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -93.7 | -6.5 | 175.2 | -63.9 | -20.4 | 0 | 0 | 0 | 111.9 | R2 K31 E32 V33 | R2-D35 IonicContact CZ-OD1 3.23Å; R2-D35 IonicContact NH1-OD1 2.74Å; R2-D35 PolarHBondContact NH1-OD1 3.47Å; K31-D35 PolarHBondContact O-N 2.78Å; E32-D35 PolarHBondContact O-N 3.5Å; V33-D35 PolarHBondContact O-N 3.38Å |
| 36 | G | 91.8 | Very high | 89.7 | Confident | 4 Ų | 4 | 48.3 Ų | 48.3 | 4% | 0.041 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.8 | 10.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | E32 V33 N268 | E32-G36 PolarHBondContact O-N 2.87Å; E32-G36 VanDerWaalsContact O-N 3.1Å; V33-G36 PolarHBondContact O-N 2.94Å; G36-N268 WeakPolarHBondContact O-CB 3.25Å; G36-N268 PolarHBondContact O-ND2 3.46Å |
| 37 | D | 94.8 | Very high | 88.2 | Confident | 48 Ų | 48 | 53.8 Ų | 53.8 | 26% | 0.257 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -92 | -14.5 | -175.5 | -71 | -17.6 | 0 | 0 | 0 | 113.3 | E32 F111 T112 N268 | E32-D37 PolarHBondContact O-N 2.96Å; D37-F111 VanDerWaalsContact C-CD2 3.47Å; D37-F111 VanDerWaalsContact O-CB 3.28Å; D37-F111 WeakPolarHBondContact O-CB 3.44Å; D37-F111 VanDerWaalsContact O-CD2 3.25Å; D37-F111 WeakPolarHBondContact O-CD2 3.3Å; D37-F111 WeakPolarHBondContact O-CG 3.16Å; D37-F111 PolarHBondContact O-N 2.77Å; D37-T112 HydrophobicContact CB-CG2 4.04Å; D37-N268 PolarHBondContact OD1-ND2 3.15Å |
| 38 | T | 96.5 | Very high | 86.5 | Confident | 3 Ų | 3 | 48.7 Ų | 48.7 | 2% | 0.018 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 148.2 | -176.8 | -72.7 | 0 | 0 | 0 | 0 | 111 | E32 V33 I40 V108 T109 R110 | E32-T38 HydrophobicContact CB-CG2 4.47Å; E32-T38 WeakPolarHBondContact CB-OG1 2.9Å; E32-T38 PolarHBondContact O-N 2.81Å; E32-T38 PolarHBondContact OE2-OG1 2.81Å; V33-T38 WeakPolarHBondContact CA-O 3.1Å; V33-T38 HydrophobicContact CG2-CG2 4.02Å; V33-T38 WeakPolarHBondContact CG2-O 3.29Å; T38-I40 HydrophobicContact CG2-CG1 4.37Å; T38-V108 HydrophobicContact CG2-CG1 3.5Å; T38-T109 CarbonylContact C-O 3.59Å; T38-T109 VanDerWaalsContact CA-O 3.28Å; T38-T109 WeakPolarHBondContact CA-O 3.21Å; T38-R110 HydrophobicContact CG2-CG 4.17Å |
| 39 | A | 95.3 | Very high | 85.1 | Confident | 4 Ų | 4 | 46.5 Ų | 46.5 | 3% | 0.033 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 138.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111 | W54 V108 T109 F111 | A39-W54 HydrophobicContact CB-CE3 3.32Å; A39-W54 HydrophobicContact CB-CZ3 3.67Å; A39-V108 CarbonylContact O-C 3.57Å; A39-V108 WeakPolarHBondContact O-CA 3.43Å; A39-T109 PolarHBondContact N-O 2.91Å; A39-T109 PolarHBondContact O-N 2.92Å; A39-F111 HydrophobicContact CB-CE1 4.32Å; A39-F111 HydrophobicContact CB-CE2 4.3Å; A39-F111 HydrophobicContact CB-CZ 3.68Å |
| 40 | I | 94.9 | Very high | 83.8 | Confident | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.021 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 122.1 | 179.1 | -52.7 | -178.1 | 0 | 0 | 0 | 109.6 | I26 V33 T38 Y42 S52 A106 Y107 V108 | I26-I40 HydrophobicContact CG2-CD1 3.69Å; V33-I40 HydrophobicContact CG2-CD1 3.69Å; V33-I40 HydrophobicContact CG2-CG1 3.7Å; T38-I40 HydrophobicContact CG2-CG1 4.37Å; I40-Y42 HydrophobicContact CB-CE2 4.12Å; I40-Y42 HydrophobicContact CG2-CD1 4.23Å; I40-Y42 HydrophobicContact CG2-CD2 4.1Å; I40-Y42 HydrophobicContact CG2-CE1 3.77Å; I40-Y42 HydrophobicContact CG2-CE2 3.59Å; I40-Y42 HydrophobicContact CG2-CG 4.39Å; I40-Y42 VanDerWaalsContact CG2-CZ 3.44Å; I40-S52 WeakPolarHBondContact O-CB 3.42Å; I40-S52 PolarHBondContact O-N 3.25Å; I40-A106 HydrophobicContact CG2-CB 3.85Å; I40-Y107 CarbonylContact C-O 3.58Å; I40-Y107 WeakPolarHBondContact CA-O 3.26Å; I40-V108 HydrophobicContact CG1-CG1 4.33Å; I40-V108 HydrophobicContact CG1-CG2 4.28Å; I40-V108 HydrophobicContact CG2-CG2 4.37Å |
| 41 | R | 92.7 | Very high | 83 | Confident | 51 Ų | 51 | 55 Ų | 55 | 19% | 0.192 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 105.5 | 175.1 | -168.9 | 168.7 | -171.8 | 161.8 | -2.2 | 109.9 | H51 S52 Q53 A106 Y107 | R41-H51 VanDerWaalsContact CG-CE1 3.47Å; R41-H51 WeakPolarHBondContact CG-CE1 3.36Å; R41-S52 WeakPolarHBondContact CG-O 3.32Å; R41-Q53 PolarHBondContact NH1-O 3.1Å; R41-A106 CarbonylContact O-C 3.47Å; R41-A106 VanDerWaalsContact O-CA 3.3Å; R41-A106 WeakPolarHBondContact O-CA 3.06Å; R41-Y107 PolarHBondContact N-O 2.65Å; R41-Y107 PolarHBondContact O-N 2.73Å |
| 42 | Y | 91.2 | Very high | 82.8 | Confident | 12 Ų | 12 | 48.8 Ų | 48.8 | 5% | 0.047 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 146 | -178.3 | -58.9 | -87.1 | 0 | 0 | 0 | 112.3 | F22 I26 I40 T46 Y49 H51 G105 A106 | F22-Y42 AromaticContact CE1-CD1 3.91Å; F22-Y42 HydrophobicContact CE1-CD1 3.91Å; F22-Y42 AromaticContact CE1-CE1 3.98Å; F22-Y42 HydrophobicContact CE1-CE1 3.98Å; F22-Y42 HydrophobicContact CZ-CD1 4.03Å; F22-Y42 HydrophobicContact CZ-CE1 4.3Å; I26-Y42 HydrophobicContact CG1-CE1 4.42Å; I26-Y42 HydrophobicContact CG2-CE1 4.41Å; I40-Y42 HydrophobicContact CB-CE2 4.12Å; I40-Y42 HydrophobicContact CG2-CD1 4.23Å; I40-Y42 HydrophobicContact CG2-CD2 4.1Å; I40-Y42 HydrophobicContact CG2-CE1 3.77Å; I40-Y42 HydrophobicContact CG2-CE2 3.59Å; I40-Y42 HydrophobicContact CG2-CG 4.39Å; I40-Y42 VanDerWaalsContact CG2-CZ 3.44Å; Y42-T46 HydrophobicContact CG-CG2 4.44Å; Y42-Y49 HydrophobicContact CD1-CD2 4.24Å; Y42-Y49 AromaticContact CE1-CD2 3.96Å; Y42-Y49 HydrophobicContact CE1-CD2 3.96Å; Y42-Y49 HydrophobicContact CE1-CE2 4.48Å; Y42-Y49 HydrophobicContact CE1-CG 4.17Å; Y42-Y49 HydrophobicContact CE2-CD2 4.31Å; Y42-Y49 AromaticContact CE2-CG 3.98Å; Y42-Y49 HydrophobicContact CE2-CG 3.98Å; Y42-Y49 AromaticContact CZ-CD2 3.98Å; Y42-Y49 AromaticContact CZ-CG 3.73Å; Y42-H51 PolarHBondContact N-ND1 2.88Å; Y42-H51 PolarHBondContact O-CE1 2.03Å; Y42-G105 CarbonylContact C-O 3.59Å; Y42-G105 WeakPolarHBondContact CA-O 3.04Å; Y42-A106 HydrophobicContact CD1-CB 3.89Å; Y42-A106 HydrophobicContact CE1-CB 4.29Å; Y42-A106 HydrophobicContact CG-CB 4.49Å |
| 43 | F | 86.5 | Confident | 82.4 | Confident | 54 Ų | 54 | 51.5 Ų | 51.5 | 24% | 0.237 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 132.5 | 170.9 | 56.3 | -88.1 | 0 | 0 | 0 | 110.4 | G105 A106 Y107 K118 E120 | F43-G105 PolarHBondContact N-O 2.93Å; F43-G105 PolarHBondContact O-N 3.36Å; F43-G105 VanDerWaalsContact O-O 3.08Å; F43-A106 VanDerWaalsContact CE1-N 3.33Å; F43-Y107 AromaticContact CD1-CD2 3.71Å; F43-Y107 HydrophobicContact CD1-CD2 3.71Å; F43-Y107 AromaticContact CD1-CE2 3.77Å; F43-Y107 HydrophobicContact CD1-CE2 3.77Å; F43-Y107 AromaticContact CE1-CD2 3.45Å; F43-Y107 HydrophobicContact CE1-CD2 3.45Å; F43-Y107 VanDerWaalsContact CE1-CD2 3.45Å; F43-Y107 AromaticContact CE1-CE2 3.44Å; F43-Y107 HydrophobicContact CE1-CE2 3.44Å; F43-Y107 VanDerWaalsContact CE1-CE2 3.44Å; F43-Y107 HydrophobicContact CE1-CG 4.24Å; F43-Y107 HydrophobicContact CZ-CE2 4.22Å; F43-K118 HydrophobicContact CE1-CG 4.26Å; F43-K118 HydrophobicContact CZ-CD 4.34Å; F43-K118 VanDerWaalsContact CZ-CE 3.47Å; F43-K118 HydrophobicContact CZ-CG 3.91Å; F43-E120 HydrophobicContact CE2-CG 3.95Å; F43-E120 HydrophobicContact CZ-CG 3.81Å |
| 44 | P | 80.6 | Confident | 82.5 | Confident | 80 Ų | 80 | 50.5 Ų | 50.5 | 52% | 0.519 | 28% | 0.277 | S | S | . | . | S | Bend | cis | -60.3 | 151.9 | -4.7 | 28.4 | -34.9 | 0 | 0 | 0 | 112.2 | L13 T46 | L13-P44 HydrophobicContact CD2-CG 4.28Å; P44-T46 PolarHBondContact O-N 3Å |
| 45 | S | 71.7 | Confident | 82.8 | Confident | 98 Ų | 98 | 48.9 Ų | 48.9 | 69% | 0.685 | 26% | 0.263 | S | S | * | . | trans | -59.8 | 135.2 | -177.4 | -175.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 46 | T | 66.7 | Low | 83.1 | Confident | 22 Ų | 22 | 45.3 Ų | 45.3 | 14% | 0.135 | 24% | 0.244 | C | C | . | . | trans | -136.4 | 145.8 | -177 | 177.3 | 0 | 0 | 0 | 0 | 111.2 | L13 Y42 P44 M48 Y49 | L13-T46 HydrophobicContact CD1-CG2 3.61Å; L13-T46 WeakPolarHBondContact CD1-OG1 3.5Å; Y42-T46 HydrophobicContact CG-CG2 4.44Å; P44-T46 PolarHBondContact O-N 3Å; T46-M48 VanDerWaalsContact C-N 3.27Å; T46-M48 HydrophobicContact CG2-CB 4.46Å; T46-M48 WeakPolarHBondContact OG1-CB 3.46Å; T46-M48 WeakPolarHBondContact OG1-CG 3.13Å; T46-M48 PolarHBondContact OG1-N 2.79Å; T46-M48 VanDerWaalsContact OG1-N 3.08Å; T46-Y49 HydrophobicContact CG2-CD2 4.03Å | ||
| 47 | S | 62.2 | Low | 83.4 | Confident | 121 Ų | 121 | 45.1 Ų | 45.1 | 85% | 0.846 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -80.3 | -6.2 | 171.8 | 54.2 | 0 | 0 | 0 | 0 | 113.3 | ||
| 48 | M | 54.5 | Low | 83.6 | Confident | 26 Ų | 26 | 42.8 Ų | 42.8 | 13% | 0.128 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -70.9 | -30.5 | -173.8 | -71.6 | -178.2 | 78.1 | 0 | 0 | 114.3 | P7 S11 L13 F19 T46 | P7-M48 HydrophobicContact CB-CE 4.19Å; P7-M48 HydrophobicContact CG-CB 4.14Å; P7-M48 HydrophobicContact CG-CE 3.78Å; S11-M48 WeakPolarHBondContact OG-CG 3.38Å; S11-M48 PolarHBondContact OG-SD 2.82Å; L13-M48 HydrophobicContact CB-SD 4Å; L13-M48 HydrophobicContact CD1-CG 4.49Å; L13-M48 HydrophobicContact CD1-SD 3.66Å; L13-M48 HydrophobicContact CG-SD 4.3Å; F19-M48 HydrophobicContact CE2-CE 4.19Å; F19-M48 HydrophobicContact CZ-CE 4Å; T46-M48 VanDerWaalsContact C-N 3.27Å; T46-M48 HydrophobicContact CG2-CB 4.46Å; T46-M48 WeakPolarHBondContact OG1-CB 3.46Å; T46-M48 WeakPolarHBondContact OG1-CG 3.13Å; T46-M48 PolarHBondContact OG1-N 2.79Å; T46-M48 VanDerWaalsContact OG1-N 3.08Å |
| 49 | Y | 64.3 | Low | 83.6 | Confident | 40 Ų | 40 | 42.8 Ų | 42.8 | 16% | 0.157 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -120.5 | 159.4 | -174.1 | -62.3 | -72.8 | 0 | 0 | 0 | 111 | F19 Y42 T46 H51 | F19-Y49 HydrophobicContact CE2-CE2 4.37Å; F19-Y49 VanDerWaalsContact CE2-OH 3.27Å; F19-Y49 WeakPolarHBondContact CE2-OH 3.18Å; F19-Y49 WeakPolarHBondContact CZ-OH 3.03Å; Y42-Y49 HydrophobicContact CD1-CD2 4.24Å; Y42-Y49 AromaticContact CE1-CD2 3.96Å; Y42-Y49 HydrophobicContact CE1-CD2 3.96Å; Y42-Y49 HydrophobicContact CE1-CE2 4.48Å; Y42-Y49 HydrophobicContact CE1-CG 4.17Å; Y42-Y49 HydrophobicContact CE2-CD2 4.31Å; Y42-Y49 AromaticContact CE2-CG 3.98Å; Y42-Y49 HydrophobicContact CE2-CG 3.98Å; Y42-Y49 AromaticContact CZ-CD2 3.98Å; Y42-Y49 AromaticContact CZ-CG 3.73Å; T46-Y49 HydrophobicContact CG2-CD2 4.03Å; Y49-H51 VanDerWaalsContact C-N 3.26Å; Y49-H51 PolarHBondContact O-N 2.97Å |
| 50 | H | 67.5 | Low | 83.6 | Confident | 181 Ų | 181 | 42.6 Ų | 42.6 | 84% | 0.838 | 23% | 0.229 | S | C | * | . | trans | -60.4 | 93.8 | 164.6 | -90 | -75.8 | 0 | 0 | 0 | 108.9 | ||||
| 51 | H | 74.6 | Confident | 83.5 | Confident | 61 Ų | 61 | 42.5 Ų | 42.5 | 28% | 0.282 | 23% | 0.228 | S | C | . | . | trans | -84.4 | 114.8 | 178.6 | -175.7 | 91.9 | 0 | 0 | 0 | 108.7 | R41 Y42 Y49 | R41-H51 VanDerWaalsContact CG-CE1 3.47Å; R41-H51 WeakPolarHBondContact CG-CE1 3.36Å; Y42-H51 PolarHBondContact N-ND1 2.88Å; Y42-H51 PolarHBondContact O-CE1 2.03Å; Y49-H51 VanDerWaalsContact C-N 3.26Å; Y49-H51 PolarHBondContact O-N 2.97Å | ||
| 52 | S | 85.7 | Confident | 83.4 | Confident | 17 Ų | 17 | 41.8 Ų | 41.8 | 12% | 0.119 | 23% | 0.227 | C | C | . | . | trans | -73 | 133.2 | 169.1 | 179.5 | 0 | 0 | 0 | 0 | 109.7 | I40 R41 W54 | I40-S52 WeakPolarHBondContact O-CB 3.42Å; I40-S52 PolarHBondContact O-N 3.25Å; R41-S52 WeakPolarHBondContact CG-O 3.32Å; S52-W54 WeakPolarHBondContact OG-CB 3.47Å; S52-W54 PolarHBondContact OG-N 3.43Å; S52-W54 VanDerWaalsContact OG-N 3.16Å | ||
| 53 | Q | 86.8 | Confident | 83.6 | Confident | 98 Ų | 98 | 42 Ų | 42 | 46% | 0.458 | 23% | 0.228 | S | C | . | . | trans | -79.3 | -8 | 172.4 | 68.5 | -172.8 | 4.7 | 0 | 0 | 113 | R41 S314 D316 | R41-Q53 PolarHBondContact NH1-O 3.1Å; Q53-S314 PolarHBondContact NE2-O 3.41Å; Q53-D316 HydrophobicContact CB-CB 4.34Å; Q53-D316 HydrophobicContact CG-CB 4.33Å; Q53-D316 VanDerWaalsContact O-CA 3.24Å; Q53-D316 WeakPolarHBondContact O-CA 3.29Å; Q53-D316 WeakPolarHBondContact O-CB 3.46Å | ||
| 54 | W | 94 | Very high | 84.2 | Confident | 25 Ų | 25 | 39.5 Ų | 39.5 | 10% | 0.095 | 22% | 0.217 | C | C | . | . | trans | -68.2 | 141.7 | -172.1 | -59.2 | -36.7 | 0 | 0 | 0 | 112.3 | A39 S52 P56 F111 D265 A269 L315 | A39-W54 HydrophobicContact CB-CE3 3.32Å; A39-W54 HydrophobicContact CB-CZ3 3.67Å; S52-W54 WeakPolarHBondContact OG-CB 3.47Å; S52-W54 PolarHBondContact OG-N 3.43Å; S52-W54 VanDerWaalsContact OG-N 3.16Å; W54-P56 WeakPolarHBondContact O-CD 3.48Å; W54-F111 HydrophobicContact CD2-CZ 4.49Å; W54-F111 HydrophobicContact CE3-CE2 4.21Å; W54-F111 AromaticContact CE3-CZ 3.59Å; W54-F111 HydrophobicContact CE3-CZ 3.59Å; W54-F111 AromaticContact CZ3-CE2 3.94Å; W54-F111 HydrophobicContact CZ3-CE2 3.94Å; W54-F111 AromaticContact CZ3-CZ 3.81Å; W54-F111 HydrophobicContact CZ3-CZ 3.81Å; W54-D265 VanDerWaalsContact CH2-C 3.49Å; W54-D265 HydrophobicContact CH2-CB 3.7Å; W54-D265 WeakPolarHBondContact CH2-O 3.37Å; W54-D265 HydrophobicContact CZ2-CB 4.49Å; W54-A269 HydrophobicContact CD2-CB 3.91Å; W54-A269 HydrophobicContact CE3-CB 4.03Å; W54-A269 HydrophobicContact CH2-CB 4.36Å; W54-A269 HydrophobicContact CZ2-CB 4.2Å; W54-A269 HydrophobicContact CZ3-CB 4.27Å; W54-L315 WeakPolarHBondContact CA-O 3.4Å | ||
| 55 | L | 96 | Very high | 84.9 | Confident | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | trans | -72.1 | 122.7 | -177.3 | -166.2 | 69.4 | 0 | 0 | 0 | 111.4 | F57 M68 Y273 L315 L318 I321 | L55-F57 PolarHBondContact O-N 3.47Å; L55-M68 HydrophobicContact CD1-CB 4.43Å; L55-M68 HydrophobicContact CD1-CE 4.1Å; L55-M68 VanDerWaalsContact CD1-O 3.23Å; L55-M68 WeakPolarHBondContact CD1-O 3.4Å; L55-Y273 PolarHBondContact N-OH 3.38Å; L55-Y273 PolarHBondContact O-OH 3.01Å; L55-L315 PolarHBondContact N-O 3.11Å; L55-L318 HydrophobicContact CD2-CB 4.19Å; L55-I321 HydrophobicContact CB-CD1 3.53Å; L55-I321 HydrophobicContact CD2-CD1 3.71Å; L55-I321 HydrophobicContact CG-CD1 4.26Å | ||
| 56 | P | 97.5 | Very high | 86.1 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.16 | C | C | . | . | trans | -60.1 | 115.7 | 170.1 | -22.7 | 35.6 | 0 | 0 | 0 | 110.3 | W54 L67 M68 Y107 V116 | W54-P56 WeakPolarHBondContact O-CD 3.48Å; P56-L67 HydrophobicContact CB-CB 4.07Å; P56-L67 HydrophobicContact CB-CD1 4.34Å; P56-L67 WeakPolarHBondContact O-CB 3.18Å; P56-L67 PolarHBondContact O-N 3Å; P56-M68 HydrophobicContact CG-CB 4.41Å; P56-Y107 HydrophobicContact CB-CD1 3.9Å; P56-Y107 HydrophobicContact CB-CD2 4.5Å; P56-Y107 HydrophobicContact CB-CG 3.84Å; P56-Y107 VanDerWaalsContact CG-CB 3.43Å; P56-Y107 HydrophobicContact CG-CD1 4.13Å; P56-Y107 HydrophobicContact CG-CD2 3.86Å; P56-Y107 HydrophobicContact CG-CG 3.55Å; P56-V116 HydrophobicContact CB-CG1 4.12Å | ||
| 57 | F | 97.5 | Very high | 87.5 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 141 | -168 | -177.9 | -91.7 | 0 | 0 | 0 | 109.3 | L55 A64 I65 L74 Y272 Y273 L318 | L55-F57 PolarHBondContact O-N 3.47Å; F57-A64 HydrophobicContact CE1-CB 3.73Å; F57-A64 HydrophobicContact CE2-CB 3.87Å; F57-A64 HydrophobicContact CZ-CB 3.23Å; F57-I65 WeakPolarHBondContact CA-O 3.48Å; F57-L74 HydrophobicContact CE2-CD1 3.82Å; F57-L74 HydrophobicContact CZ-CD1 4.34Å; F57-Y272 WeakPolarHBondContact O-CE1 3.47Å; F57-Y272 PolarHBondContact O-OH 2.91Å; F57-Y273 HydrophobicContact CB-CD1 4.26Å; F57-Y273 HydrophobicContact CB-CE1 3.67Å; F57-Y273 AromaticContact CD1-CD1 3.91Å; F57-Y273 HydrophobicContact CD1-CD1 3.91Å; F57-Y273 HydrophobicContact CD1-CE1 4.2Å; F57-Y273 HydrophobicContact CE1-CD1 4.49Å; F57-Y273 HydrophobicContact CG-CD1 4.2Å; F57-Y273 HydrophobicContact CG-CE1 4.08Å; F57-L318 HydrophobicContact CE2-CD1 4.17Å |
| 58 | V | 98.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 142 | 173.2 | -67 | 0 | 0 | 0 | 0 | 110 | A64 I65 L67 V116 F135 F145 | V58-A64 CarbonylContact O-C 3.47Å; V58-A64 WeakPolarHBondContact O-CA 3.15Å; V58-A64 WeakPolarHBondContact O-CB 3.31Å; V58-I65 HydrophobicContact CG2-CB 4.04Å; V58-I65 PolarHBondContact N-O 3.07Å; V58-I65 PolarHBondContact O-N 3.06Å; V58-L67 HydrophobicContact CG1-CD1 4.3Å; V58-L67 HydrophobicContact CG2-CD2 4.49Å; V58-V116 HydrophobicContact CG1-CB 4.1Å; V58-V116 HydrophobicContact CG1-CG2 3.62Å; V58-F135 HydrophobicContact CG1-CB 4.36Å; V58-F145 HydrophobicContact CG2-CE2 4.24Å |
| 59 | G | 97.2 | Very high | 90.2 | Very high | 3 Ų | 3 | 31.8 Ų | 31.8 | 3% | 0.031 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.9 | 155.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | F63 S276 | G59-F63 WeakPolarHBondContact CA-O 3.02Å; G59-S276 CarbonylContact C-O 3.57Å; G59-S276 WeakPolarHBondContact CA-O 3.43Å; G59-S276 WeakPolarHBondContact O-CA 3.37Å |
| 60 | N | 94.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.162 | C | C | . | . | trans | -125.4 | 11.7 | 178.8 | 72.1 | -4.7 | 0 | 0 | 0 | 113.1 | H62 F63 A137 H138 P142 S276 P279 | N60-H62 VanDerWaalsContact C-N 3.28Å; N60-H62 PolarHBondContact O-N 3.33Å; N60-H62 WeakPolarHBondContact OD1-CB 3.43Å; N60-H62 PolarHBondContact OD1-N 2.96Å; N60-F63 PolarHBondContact N-O 2.91Å; N60-F63 WeakPolarHBondContact ND2-CE1 3.47Å; N60-F63 PolarHBondContact OD1-N 3.22Å; N60-F63 PolarHBondContact OD1-O 3.02Å; N60-A137 HydrophobicContact CB-CB 3.91Å; N60-H138 VanDerWaalsContact CB-O 3.29Å; N60-H138 WeakPolarHBondContact CB-O 3.33Å; N60-H138 PolarHBondContact ND2-O 2.86Å; N60-P142 PolarHBondContact ND2-O 2.86Å; N60-S276 PolarHBondContact N-O 3.09Å; N60-P279 VanDerWaalsContact O-CA 3.3Å; N60-P279 WeakPolarHBondContact O-CA 3.45Å | ||
| 61 | G | 93 | Very high | 92.6 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.01 | 14% | 0.135 | C | C | . | . | S | Bend | trans | 77.4 | -1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | K76 S276 S277 | G61-K76 WeakPolarHBondContact O-CD 3.43Å; G61-S276 PolarHBondContact N-O 2.98Å; G61-S277 VanDerWaalsContact CA-C 3.45Å; G61-S277 WeakPolarHBondContact CA-O 3.33Å |
| 62 | H | 92.2 | Very high | 93.5 | Very high | 36 Ų | 36 | 24.6 Ų | 24.6 | 17% | 0.167 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -105.6 | -40.6 | 166.9 | -62.7 | -71.5 | 0 | 0 | 0 | 111.2 | N60 K76 P142 P279 | N60-H62 VanDerWaalsContact C-N 3.28Å; N60-H62 PolarHBondContact O-N 3.33Å; N60-H62 WeakPolarHBondContact OD1-CB 3.43Å; N60-H62 PolarHBondContact OD1-N 2.96Å; H62-K76 VanDerWaalsContact O-CB 3.26Å; H62-K76 WeakPolarHBondContact O-CB 3.43Å; H62-K76 PolarHBondContact O-N 2.94Å; H62-P142 WeakPolarHBondContact CB-O 3.49Å; H62-P142 WeakPolarHBondContact CD2-CB 3.48Å; H62-P142 WeakPolarHBondContact NE2-CB 3.35Å; H62-P279 WeakPolarHBondContact NE2-CB 3.46Å |
| 63 | F | 95.3 | Very high | 93.9 | Very high | 18 Ų | 18 | 24.5 Ų | 24.5 | 8% | 0.079 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 163.9 | 171.4 | 70.1 | -86.7 | 0 | 0 | 0 | 108.7 | G59 N60 I65 L73 L74 A137 P142 V144 F145 | G59-F63 WeakPolarHBondContact CA-O 3.02Å; N60-F63 PolarHBondContact N-O 2.91Å; N60-F63 WeakPolarHBondContact ND2-CE1 3.47Å; N60-F63 PolarHBondContact OD1-N 3.22Å; N60-F63 PolarHBondContact OD1-O 3.02Å; F63-I65 HydrophobicContact CD2-CD1 4.43Å; F63-I65 HydrophobicContact CD2-CG1 4.32Å; F63-I65 HydrophobicContact CE2-CD1 4.17Å; F63-I65 HydrophobicContact CE2-CG1 4.49Å; F63-L73 HydrophobicContact CB-CD1 4.2Å; F63-L73 HydrophobicContact CD2-CD1 3.95Å; F63-L73 HydrophobicContact CG-CD1 4.43Å; F63-L74 CarbonylContact C-O 3.25Å; F63-L74 WeakPolarHBondContact CA-O 3.32Å; F63-L74 VanDerWaalsContact CB-O 3.23Å; F63-L74 WeakPolarHBondContact CB-O 3.22Å; F63-A137 HydrophobicContact CE2-CB 3.69Å; F63-A137 HydrophobicContact CZ-CB 3.67Å; F63-P142 WeakPolarHBondContact CE1-O 3.2Å; F63-V144 WeakPolarHBondContact CZ-O 3.34Å; F63-F145 HydrophobicContact CE2-CB 3.76Å; F63-F145 HydrophobicContact CE2-CD2 4.43Å; F63-F145 HydrophobicContact CE2-CG 4.42Å; F63-F145 HydrophobicContact CZ-CB 3.78Å |
| 64 | A | 97.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 158.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | F57 V58 L74 F83 | F57-A64 HydrophobicContact CE1-CB 3.73Å; F57-A64 HydrophobicContact CE2-CB 3.87Å; F57-A64 HydrophobicContact CZ-CB 3.23Å; V58-A64 CarbonylContact O-C 3.47Å; V58-A64 WeakPolarHBondContact O-CA 3.15Å; V58-A64 WeakPolarHBondContact O-CB 3.31Å; A64-L74 HydrophobicContact CB-CB 4.37Å; A64-L74 HydrophobicContact CB-CD1 4.32Å; A64-L74 PolarHBondContact N-O 2.71Å; A64-L74 WeakPolarHBondContact O-CA 3.48Å; A64-L74 WeakPolarHBondContact O-CB 3.5Å; A64-L74 PolarHBondContact O-N 2.84Å; A64-F83 HydrophobicContact CB-CE1 3.97Å; A64-F83 HydrophobicContact CB-CE2 4.02Å; A64-F83 HydrophobicContact CB-CZ 3.68Å |
| 65 | I | 96.5 | Very high | 94.3 | Very high | 1 Ų | 1 | 19.7 Ų | 19.7 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 122.3 | -179.6 | -59.4 | 167.6 | 0 | 0 | 0 | 107.7 | F57 V58 F63 L67 V72 L73 P90 L91 F145 | F57-I65 WeakPolarHBondContact CA-O 3.48Å; V58-I65 HydrophobicContact CG2-CB 4.04Å; V58-I65 PolarHBondContact N-O 3.07Å; V58-I65 PolarHBondContact O-N 3.06Å; F63-I65 HydrophobicContact CD2-CD1 4.43Å; F63-I65 HydrophobicContact CD2-CG1 4.32Å; F63-I65 HydrophobicContact CE2-CD1 4.17Å; F63-I65 HydrophobicContact CE2-CG1 4.49Å; I65-L67 HydrophobicContact CG2-CD2 3.84Å; I65-V72 WeakPolarHBondContact CA-O 3.37Å; I65-L73 HydrophobicContact CD1-CD1 4.37Å; I65-L73 HydrophobicContact CG1-CD1 3.82Å; I65-P90 HydrophobicContact CD1-CG 3.8Å; I65-P90 HydrophobicContact CG1-CG 4.13Å; I65-P90 HydrophobicContact CG2-CG 4.06Å; I65-L91 HydrophobicContact CG2-CD2 4.1Å; I65-L91 HydrophobicContact CG2-CG 4.42Å; I65-F145 HydrophobicContact CD1-CB 4.3Å; I65-F145 HydrophobicContact CD1-CD1 3.78Å; I65-F145 HydrophobicContact CD1-CD2 3.34Å; I65-F145 HydrophobicContact CD1-CE1 3.85Å; I65-F145 HydrophobicContact CD1-CE2 3.42Å; I65-F145 VanDerWaalsContact CD1-CE2 3.42Å; I65-F145 HydrophobicContact CD1-CG 3.51Å; I65-F145 HydrophobicContact CD1-CZ 3.66Å |
| 66 | S | 96.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 124.9 | 163.1 | 176.1 | 0 | 0 | 0 | 0 | 107.9 | M68 P70 E71 V72 | S66-M68 PolarHBondContact OG-O 3.48Å; S66-P70 WeakPolarHBondContact CB-O 3.37Å; S66-P70 PolarHBondContact OG-O 3.47Å; S66-E71 VanDerWaalsContact O-CA 3.28Å; S66-E71 WeakPolarHBondContact O-CA 3.41Å; S66-V72 PolarHBondContact N-O 2.91Å; S66-V72 PolarHBondContact O-N 3.09Å |
| 67 | L | 95.4 | Very high | 93.7 | Very high | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.005 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | -0.9 | -176 | -56.2 | 172.1 | 0 | 0 | 0 | 112.6 | P56 V58 I65 E71 L91 Y107 V116 F135 | P56-L67 HydrophobicContact CB-CB 4.07Å; P56-L67 HydrophobicContact CB-CD1 4.34Å; P56-L67 WeakPolarHBondContact O-CB 3.18Å; P56-L67 PolarHBondContact O-N 3Å; V58-L67 HydrophobicContact CG1-CD1 4.3Å; V58-L67 HydrophobicContact CG2-CD2 4.49Å; I65-L67 HydrophobicContact CG2-CD2 3.84Å; L67-E71 WeakPolarHBondContact O-CG 3.28Å; L67-L91 HydrophobicContact CB-CD1 4.46Å; L67-L91 HydrophobicContact CD2-CD1 3.77Å; L67-L91 HydrophobicContact CD2-CD2 3.64Å; L67-L91 HydrophobicContact CD2-CG 4.34Å; L67-Y107 HydrophobicContact CB-CE1 4.32Å; L67-Y107 PolarHBondContact O-OH 2.97Å; L67-V116 HydrophobicContact CD1-CB 3.5Å; L67-V116 VanDerWaalsContact CD1-CB 3.5Å; L67-V116 HydrophobicContact CD1-CG1 3.53Å; L67-V116 HydrophobicContact CD1-CG2 3.78Å; L67-F135 HydrophobicContact CD1-CB 3.94Å; L67-F135 HydrophobicContact CD1-CD2 3.91Å; L67-F135 HydrophobicContact CD1-CG 3.97Å; L67-F135 HydrophobicContact CD2-CB 4.23Å; L67-F135 HydrophobicContact CD2-CD1 4.02Å; L67-F135 HydrophobicContact CD2-CD2 4.45Å; L67-F135 HydrophobicContact CD2-CE1 4.48Å; L67-F135 HydrophobicContact CD2-CG 3.98Å |
| 68 | M | 91.1 | Very high | 93.1 | Very high | 23 Ų | 23 | 25.9 Ų | 25.9 | 11% | 0.113 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -153.3 | 130.2 | -178 | -163.3 | -173.6 | 69.9 | 0 | 0 | 110.6 | L55 P56 S66 Y107 | L55-M68 HydrophobicContact CD1-CB 4.43Å; L55-M68 HydrophobicContact CD1-CE 4.1Å; L55-M68 VanDerWaalsContact CD1-O 3.23Å; L55-M68 WeakPolarHBondContact CD1-O 3.4Å; P56-M68 HydrophobicContact CG-CB 4.41Å; S66-M68 PolarHBondContact OG-O 3.48Å; M68-Y107 HydrophobicContact CG-CE2 4.38Å; M68-Y107 HydrophobicContact SD-CD2 4.31Å; M68-Y107 HydrophobicContact SD-CE2 4.18Å |
| 69 | Q | 83.5 | Confident | 92.3 | Very high | 161 Ų | 161 | 33 Ų | 33 | 75% | 0.752 | 17% | 0.17 | S | C | * | . | S | Bend | trans | 32.4 | 81.2 | 164.9 | -63.2 | -177.3 | 5.4 | 0 | 0 | 116.7 | ||
| 70 | P | 90 | Very high | 91.8 | Very high | 66 Ų | 66 | 35.2 Ų | 35.2 | 43% | 0.429 | 18% | 0.183 | S | C | . | . | S | Bend | cis | -83.9 | 142.5 | -2.5 | 32.7 | -33 | 0 | 0 | 0 | 112.2 | S66 V72 L318 | S66-P70 WeakPolarHBondContact CB-O 3.37Å; S66-P70 PolarHBondContact OG-O 3.47Å; P70-V72 HydrophobicContact CG-CG1 4.2Å; P70-V72 PolarHBondContact O-N 3.23Å; P70-L318 HydrophobicContact CG-CD2 4.34Å |
| 71 | E | 92 | Very high | 91.3 | Very high | 60 Ų | 60 | 37.7 Ų | 37.7 | 28% | 0.28 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 107.2 | 167.5 | -71.6 | 163.2 | -154.5 | 0 | 0 | 108.9 | S66 L67 N89 L91 | S66-E71 VanDerWaalsContact O-CA 3.28Å; S66-E71 WeakPolarHBondContact O-CA 3.41Å; L67-E71 WeakPolarHBondContact O-CG 3.28Å; E71-N89 WeakPolarHBondContact CB-ND2 3.41Å; E71-N89 PolarHBondContact OE2-ND2 3Å; E71-L91 HydrophobicContact CB-CD1 4.21Å; E71-L91 HydrophobicContact CG-CD1 4.13Å |
| 72 | V | 93.2 | Very high | 91.2 | Very high | 5 Ų | 5 | 45 Ų | 45 | 3% | 0.03 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 142.9 | -169.5 | 76.6 | 0 | 0 | 0 | 0 | 114 | I65 S66 P70 L74 N85 I88 L318 | I65-V72 WeakPolarHBondContact CA-O 3.37Å; S66-V72 PolarHBondContact N-O 2.91Å; S66-V72 PolarHBondContact O-N 3.09Å; P70-V72 HydrophobicContact CG-CG1 4.2Å; P70-V72 PolarHBondContact O-N 3.23Å; V72-L74 HydrophobicContact CG1-CD2 3.95Å; V72-L74 HydrophobicContact CG1-CG 4.49Å; V72-N85 WeakPolarHBondContact CG2-OD1 3.48Å; V72-I88 CarbonylContact C-O 3.14Å; V72-I88 WeakPolarHBondContact CA-O 3.4Å; V72-L318 HydrophobicContact CG1-CD2 4.06Å |
| 73 | L | 93.4 | Very high | 91.3 | Very high | 15 Ų | 15 | 44.5 Ų | 44.5 | 8% | 0.079 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 130.6 | 169.8 | 175.1 | 65.8 | 0 | 0 | 0 | 110.3 | F63 I65 I75 T86 I88 P90 M206 | F63-L73 HydrophobicContact CB-CD1 4.2Å; F63-L73 HydrophobicContact CD2-CD1 3.95Å; F63-L73 HydrophobicContact CG-CD1 4.43Å; I65-L73 HydrophobicContact CD1-CD1 4.37Å; I65-L73 HydrophobicContact CG1-CD1 3.82Å; L73-I75 HydrophobicContact CD2-CG2 4.48Å; L73-I75 HydrophobicContact CG-CG2 4.33Å; L73-T86 WeakPolarHBondContact CB-OG1 3.5Å; L73-T86 HydrophobicContact CD2-CG2 4.31Å; L73-T86 HydrophobicContact CG-CG2 4.13Å; L73-T86 WeakPolarHBondContact O-CB 3.46Å; L73-T86 WeakPolarHBondContact O-CG2 3.37Å; L73-T86 PolarHBondContact O-N 3.06Å; L73-T86 VanDerWaalsContact O-N 3.09Å; L73-T86 PolarHBondContact O-OG1 2.68Å; L73-I88 PolarHBondContact N-O 3.08Å; L73-P90 HydrophobicContact CB-CG 4.11Å; L73-M206 HydrophobicContact CD2-SD 4.39Å |
| 74 | L | 95.2 | Very high | 91.2 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 134.4 | 174.3 | -52.4 | 173.7 | 0 | 0 | 0 | 108.4 | F57 F63 A64 V72 F83 I84 N85 L318 | F57-L74 HydrophobicContact CE2-CD1 3.82Å; F57-L74 HydrophobicContact CZ-CD1 4.34Å; F63-L74 CarbonylContact C-O 3.25Å; F63-L74 WeakPolarHBondContact CA-O 3.32Å; F63-L74 VanDerWaalsContact CB-O 3.23Å; F63-L74 WeakPolarHBondContact CB-O 3.22Å; A64-L74 HydrophobicContact CB-CB 4.37Å; A64-L74 HydrophobicContact CB-CD1 4.32Å; A64-L74 PolarHBondContact N-O 2.71Å; A64-L74 WeakPolarHBondContact O-CA 3.48Å; A64-L74 WeakPolarHBondContact O-CB 3.5Å; A64-L74 PolarHBondContact O-N 2.84Å; V72-L74 HydrophobicContact CG1-CD2 3.95Å; V72-L74 HydrophobicContact CG1-CG 4.49Å; L74-F83 HydrophobicContact CB-CB 4.14Å; L74-F83 HydrophobicContact CB-CD1 4.01Å; L74-F83 HydrophobicContact CB-CG 4.18Å; L74-F83 HydrophobicContact CD1-CB 4.49Å; L74-I84 VanDerWaalsContact CA-O 3.29Å; L74-I84 WeakPolarHBondContact CA-O 3.39Å; L74-N85 HydrophobicContact CD2-CB 4.08Å; L74-L318 HydrophobicContact CD1-CD1 3.56Å; L74-L318 HydrophobicContact CD1-CD2 4.4Å; L74-L318 HydrophobicContact CD2-CD2 4.11Å |
| 75 | I | 94.4 | Very high | 90.9 | Very high | 20 Ų | 20 | 47.9 Ų | 47.9 | 10% | 0.103 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 145.6 | 175 | 61.9 | 175.3 | 0 | 0 | 0 | 109.7 | L73 F83 I84 T86 A195 V202 F204 | L73-I75 HydrophobicContact CD2-CG2 4.48Å; L73-I75 HydrophobicContact CG-CG2 4.33Å; I75-F83 CarbonylContact O-C 3.59Å; I75-F83 WeakPolarHBondContact O-CA 3.24Å; I75-I84 HydrophobicContact CG1-CB 4.43Å; I75-I84 PolarHBondContact N-O 2.66Å; I75-I84 PolarHBondContact O-N 3.02Å; I75-T86 HydrophobicContact CB-CG2 4.27Å; I75-T86 HydrophobicContact CD1-CG2 4.03Å; I75-T86 HydrophobicContact CG1-CG2 3.81Å; I75-T86 HydrophobicContact CG2-CG2 3.7Å; I75-A195 HydrophobicContact CD1-CB 3.83Å; I75-A195 HydrophobicContact CG1-CB 4.29Å; I75-V202 HydrophobicContact CD1-CB 4.21Å; I75-V202 HydrophobicContact CD1-CG1 3.78Å; I75-F204 HydrophobicContact CD1-CB 4.22Å; I75-F204 HydrophobicContact CD1-CD1 3.57Å; I75-F204 HydrophobicContact CD1-CE1 4.21Å; I75-F204 HydrophobicContact CD1-CG 4.09Å |
| 76 | K | 91.4 | Very high | 90.7 | Very high | 28 Ų | 28 | 48.3 Ų | 48.3 | 12% | 0.122 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 128.4 | 179.5 | -154.6 | 159.6 | -170.2 | -164.3 | 0 | 110.6 | G61 H62 D81 F83 S277 S343 | G61-K76 WeakPolarHBondContact O-CD 3.43Å; H62-K76 VanDerWaalsContact O-CB 3.26Å; H62-K76 WeakPolarHBondContact O-CB 3.43Å; H62-K76 PolarHBondContact O-N 2.94Å; K76-D81 VanDerWaalsContact CE-C 3.49Å; K76-D81 WeakPolarHBondContact CE-O 3.44Å; K76-D81 WeakPolarHBondContact CE-OD1 3.4Å; K76-D81 VanDerWaalsContact CE-OD2 3.26Å; K76-D81 WeakPolarHBondContact CE-OD2 3.06Å; K76-D81 IonicContact NZ-OD1 2.87Å; K76-D81 PolarHBondContact NZ-OD1 2.81Å; K76-D81 IonicContact NZ-OD2 3.81Å; K76-D81 PolarHBondContact NZ-OD2 2.99Å; K76-F83 HydrophobicContact CB-CD1 4.19Å; K76-F83 HydrophobicContact CB-CE1 4.13Å; K76-F83 HydrophobicContact CD-CE1 4.48Å; K76-S277 PolarHBondContact NZ-O 2.91Å; K76-S343 PolarHBondContact NZ-OG 2.91Å |
| 77 | H | 90.3 | Very high | 90.2 | Very high | 7 Ų | 7 | 49.2 Ų | 49.2 | 3% | 0.032 | 25% | 0.252 | C | S | . | . | trans | -68 | 126.9 | 176.4 | -164.4 | -63.3 | 0 | 0 | 0 | 109.7 | Q79 T80 D81 R82 I84 T199 | H77-Q79 VanDerWaalsContact C-N 3.34Å; H77-Q79 PolarHBondContact CE1-OE1 3.32Å; H77-Q79 PolarHBondContact ND1-N 3.34Å; H77-Q79 VanDerWaalsContact ND1-N 3.18Å; H77-Q79 PolarHBondContact ND1-OE1 3.28Å; H77-Q79 PolarHBondContact O-N 2.73Å; H77-T80 WeakPolarHBondContact CB-OG1 3.16Å; H77-T80 VanDerWaalsContact CG-OG1 3.27Å; H77-T80 PolarHBondContact ND1-N 3.24Å; H77-D81 WeakPolarHBondContact O-CA 3.5Å; H77-D81 PolarHBondContact O-N 3.13Å; H77-R82 WeakPolarHBondContact CB-O 3.47Å; H77-R82 PolarHBondContact N-O 2.94Å; H77-I84 HydrophobicContact CB-CD1 3.66Å; H77-I84 HydrophobicContact CB-CG1 3.9Å; H77-I84 WeakPolarHBondContact CD2-CD1 3.25Å; H77-T199 PolarHBondContact CD2-OG1 3.43Å; H77-T199 PolarHBondContact NE2-OG1 3.36Å | ||
| 78 | P | 83.6 | Confident | 89.9 | Confident | 97 Ų | 97 | 49.4 Ų | 49.4 | 63% | 0.63 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -38.3 | -176.5 | -25.1 | 34 | 0 | 0 | 0 | 114 | ||
| 79 | Q | 83.2 | Confident | 89.8 | Confident | 149 Ų | 149 | 49 Ų | 49 | 70% | 0.696 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -44.6 | -178.6 | -61.2 | 79.9 | -1.5 | 0 | 0 | 113.9 | H77 | H77-Q79 VanDerWaalsContact C-N 3.34Å; H77-Q79 PolarHBondContact CE1-OE1 3.32Å; H77-Q79 PolarHBondContact ND1-N 3.34Å; H77-Q79 VanDerWaalsContact ND1-N 3.18Å; H77-Q79 PolarHBondContact ND1-OE1 3.28Å; H77-Q79 PolarHBondContact O-N 2.73Å |
| 80 | T | 85.1 | Confident | 90 | Very high | 51 Ų | 51 | 42.1 Ų | 42.1 | 31% | 0.313 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -10.3 | -174.9 | 66 | 0 | 0 | 0 | 0 | 113.7 | H77 R82 T199 | H77-T80 WeakPolarHBondContact CB-OG1 3.16Å; H77-T80 VanDerWaalsContact CG-OG1 3.27Å; H77-T80 PolarHBondContact ND1-N 3.24Å; T80-R82 PolarHBondContact O-N 3.4Å; T80-R82 VanDerWaalsContact O-N 3.11Å; T80-T199 HydrophobicContact CG2-CG2 3.74Å |
| 81 | D | 85.5 | Confident | 90.1 | Very high | 51 Ų | 51 | 39.5 Ų | 39.5 | 27% | 0.273 | 20% | 0.203 | S | C | . | . | trans | 54 | 27.2 | -175.2 | -159.2 | 59.7 | 0 | 0 | 0 | 113 | K76 H77 S343 | K76-D81 VanDerWaalsContact CE-C 3.49Å; K76-D81 WeakPolarHBondContact CE-O 3.44Å; K76-D81 WeakPolarHBondContact CE-OD1 3.4Å; K76-D81 VanDerWaalsContact CE-OD2 3.26Å; K76-D81 WeakPolarHBondContact CE-OD2 3.06Å; K76-D81 IonicContact NZ-OD1 2.87Å; K76-D81 PolarHBondContact NZ-OD1 2.81Å; K76-D81 IonicContact NZ-OD2 3.81Å; K76-D81 PolarHBondContact NZ-OD2 2.99Å; H77-D81 WeakPolarHBondContact O-CA 3.5Å; H77-D81 PolarHBondContact O-N 3.13Å; D81-S343 PolarHBondContact OD1-OG 3.27Å; D81-S343 VanDerWaalsContact OD2-CB 3.23Å; D81-S343 WeakPolarHBondContact OD2-CB 3.26Å; D81-S343 PolarHBondContact OD2-OG 3.03Å | ||
| 82 | R | 90.2 | Very high | 90 | Very high | 154 Ų | 154 | 38.4 Ų | 38.4 | 58% | 0.581 | 20% | 0.199 | S | C | * | . | trans | -108.8 | 148.1 | 176.5 | -67.3 | -178.9 | 68.9 | 166.6 | 2 | 111.3 | H77 T80 | H77-R82 WeakPolarHBondContact CB-O 3.47Å; H77-R82 PolarHBondContact N-O 2.94Å; T80-R82 PolarHBondContact O-N 3.4Å; T80-R82 VanDerWaalsContact O-N 3.11Å | ||
| 83 | F | 93.7 | Very high | 89.7 | Confident | 26 Ų | 26 | 43.1 Ų | 43.1 | 11% | 0.114 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 133 | 171.3 | -76.6 | -54 | 0 | 0 | 0 | 111.5 | A64 L74 I75 K76 L322 | A64-F83 HydrophobicContact CB-CE1 3.97Å; A64-F83 HydrophobicContact CB-CE2 4.02Å; A64-F83 HydrophobicContact CB-CZ 3.68Å; L74-F83 HydrophobicContact CB-CB 4.14Å; L74-F83 HydrophobicContact CB-CD1 4.01Å; L74-F83 HydrophobicContact CB-CG 4.18Å; L74-F83 HydrophobicContact CD1-CB 4.49Å; I75-F83 CarbonylContact O-C 3.59Å; I75-F83 WeakPolarHBondContact O-CA 3.24Å; K76-F83 HydrophobicContact CB-CD1 4.19Å; K76-F83 HydrophobicContact CB-CE1 4.13Å; K76-F83 HydrophobicContact CD-CE1 4.48Å; F83-L322 HydrophobicContact CB-CD2 3.95Å; F83-L322 HydrophobicContact CD2-CD2 3.84Å; F83-L322 HydrophobicContact CG-CD2 4.37Å |
| 84 | I | 93.3 | Very high | 89.6 | Confident | 11 Ų | 11 | 42.8 Ų | 42.8 | 6% | 0.056 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 136.3 | 174.1 | -45.3 | 167.2 | 0 | 0 | 0 | 107.8 | L74 I75 H77 T86 A195 Q196 V202 | L74-I84 VanDerWaalsContact CA-O 3.29Å; L74-I84 WeakPolarHBondContact CA-O 3.39Å; I75-I84 HydrophobicContact CG1-CB 4.43Å; I75-I84 PolarHBondContact N-O 2.66Å; I75-I84 PolarHBondContact O-N 3.02Å; H77-I84 HydrophobicContact CB-CD1 3.66Å; H77-I84 HydrophobicContact CB-CG1 3.9Å; H77-I84 WeakPolarHBondContact CD2-CD1 3.25Å; I84-T86 PolarHBondContact O-N 2.9Å; I84-A195 HydrophobicContact CB-CB 4.49Å; I84-A195 HydrophobicContact CG2-CB 3.94Å; I84-Q196 VanDerWaalsContact CG2-O 3.28Å; I84-Q196 WeakPolarHBondContact CG2-O 3.4Å; I84-V202 HydrophobicContact CD1-CB 3.95Å; I84-V202 HydrophobicContact CD1-CG2 3.43Å; I84-V202 VanDerWaalsContact CD1-CG2 3.43Å |
| 85 | N | 92.4 | Very high | 89.3 | Confident | 79 Ų | 79 | 44.4 Ų | 44.4 | 42% | 0.422 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 114.9 | 173.3 | -169.9 | -15.6 | 0 | 0 | 0 | 110.5 | V72 L74 G87 | V72-N85 WeakPolarHBondContact CG2-OD1 3.48Å; L74-N85 HydrophobicContact CD2-CB 4.08Å; N85-G87 VanDerWaalsContact OD1-CA 3.25Å; N85-G87 WeakPolarHBondContact OD1-CA 3.49Å; N85-G87 PolarHBondContact OD1-N 3.35Å |
| 86 | T | 90.7 | Very high | 89.2 | Confident | 10 Ų | 10 | 44 Ų | 44 | 6% | 0.061 | 23% | 0.229 | C | C | . | . | trans | -74.4 | -21.2 | 173.7 | 67.9 | 0 | 0 | 0 | 0 | 112 | L73 I75 I84 I88 A195 F204 | L73-T86 WeakPolarHBondContact CB-OG1 3.5Å; L73-T86 HydrophobicContact CD2-CG2 4.31Å; L73-T86 HydrophobicContact CG-CG2 4.13Å; L73-T86 WeakPolarHBondContact O-CB 3.46Å; L73-T86 WeakPolarHBondContact O-CG2 3.37Å; L73-T86 PolarHBondContact O-N 3.06Å; L73-T86 VanDerWaalsContact O-N 3.09Å; L73-T86 PolarHBondContact O-OG1 2.68Å; I75-T86 HydrophobicContact CB-CG2 4.27Å; I75-T86 HydrophobicContact CD1-CG2 4.03Å; I75-T86 HydrophobicContact CG1-CG2 3.81Å; I75-T86 HydrophobicContact CG2-CG2 3.7Å; I84-T86 PolarHBondContact O-N 2.9Å; T86-I88 PolarHBondContact O-N 3.32Å; T86-I88 PolarHBondContact OG1-N 2.91Å; T86-I88 VanDerWaalsContact OG1-N 3.13Å; T86-A195 HydrophobicContact CG2-CB 4.19Å; T86-F204 HydrophobicContact CG2-CE1 3.95Å; T86-F204 HydrophobicContact CG2-CZ 4Å | ||
| 87 | G | 87.8 | Confident | 89 | Confident | 19 Ų | 19 | 48.4 Ų | 48.4 | 20% | 0.196 | 25% | 0.248 | C | C | . | . | trans | 70.8 | 7.4 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114 | N85 R173 | N85-G87 VanDerWaalsContact OD1-CA 3.25Å; N85-G87 WeakPolarHBondContact OD1-CA 3.49Å; N85-G87 PolarHBondContact OD1-N 3.35Å; G87-R173 PolarHBondContact O-NH1 3.24Å | ||
| 88 | I | 88.3 | Confident | 88.6 | Confident | 4 Ų | 4 | 53.2 Ų | 53.2 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | trans | -92.9 | 135.1 | 179.6 | -59.4 | -175.3 | 0 | 0 | 0 | 109.7 | V72 L73 T86 P90 R173 L174 F204 | V72-I88 CarbonylContact C-O 3.14Å; V72-I88 WeakPolarHBondContact CA-O 3.4Å; L73-I88 PolarHBondContact N-O 3.08Å; T86-I88 PolarHBondContact O-N 3.32Å; T86-I88 PolarHBondContact OG1-N 2.91Å; T86-I88 VanDerWaalsContact OG1-N 3.13Å; I88-P90 WeakPolarHBondContact O-CD 3.41Å; I88-R173 HydrophobicContact CG1-CB 4.5Å; I88-L174 HydrophobicContact CD1-CD1 3.8Å; I88-L174 HydrophobicContact CD1-CD2 3.47Å; I88-L174 VanDerWaalsContact CD1-CD2 3.47Å; I88-L174 HydrophobicContact CD1-CG 3.56Å; I88-L174 HydrophobicContact CG2-CD1 4.5Å; I88-F204 HydrophobicContact CD1-CE2 3.92Å; I88-F204 HydrophobicContact CD1-CZ 3.5Å | ||
| 89 | N | 89.9 | Confident | 88.6 | Confident | 14 Ų | 14 | 53.6 Ų | 53.6 | 8% | 0.075 | 27% | 0.271 | C | S | . | . | trans | -95.1 | 108 | 167.7 | -175.6 | -7.4 | 0 | 0 | 0 | 109.9 | E71 L91 D167 | E71-N89 WeakPolarHBondContact CB-ND2 3.41Å; E71-N89 PolarHBondContact OE2-ND2 3Å; N89-L91 VanDerWaalsContact C-N 3.3Å; N89-L91 VanDerWaalsContact OD1-CB 3.29Å; N89-L91 WeakPolarHBondContact OD1-CB 3.31Å; N89-L91 WeakPolarHBondContact OD1-CG 3.47Å; N89-L91 PolarHBondContact OD1-N 3.37Å; N89-D167 HydrophobicContact CB-CB 4.21Å | ||
| 90 | P | 87.5 | Confident | 88.6 | Confident | 18 Ų | 18 | 51.6 Ų | 51.6 | 12% | 0.117 | 26% | 0.258 | C | S | . | . | trans | -81.2 | -8.9 | -179.2 | 34.5 | -36.3 | 0 | 0 | 0 | 113.5 | I65 L73 I88 | I65-P90 HydrophobicContact CD1-CG 3.8Å; I65-P90 HydrophobicContact CG1-CG 4.13Å; I65-P90 HydrophobicContact CG2-CG 4.06Å; L73-P90 HydrophobicContact CB-CG 4.11Å; I88-P90 WeakPolarHBondContact O-CD 3.41Å | ||
| 91 | L | 90.9 | Very high | 88.4 | Confident | 11 Ų | 11 | 53.7 Ų | 53.7 | 6% | 0.058 | 28% | 0.275 | C | S | . | . | trans | -79.2 | 146 | -168.2 | -53.5 | 174 | 0 | 0 | 0 | 112.3 | I65 L67 E71 N89 F135 F145 | I65-L91 HydrophobicContact CG2-CD2 4.1Å; I65-L91 HydrophobicContact CG2-CG 4.42Å; L67-L91 HydrophobicContact CB-CD1 4.46Å; L67-L91 HydrophobicContact CD2-CD1 3.77Å; L67-L91 HydrophobicContact CD2-CD2 3.64Å; L67-L91 HydrophobicContact CD2-CG 4.34Å; E71-L91 HydrophobicContact CB-CD1 4.21Å; E71-L91 HydrophobicContact CG-CD1 4.13Å; N89-L91 VanDerWaalsContact C-N 3.3Å; N89-L91 VanDerWaalsContact OD1-CB 3.29Å; N89-L91 WeakPolarHBondContact OD1-CB 3.31Å; N89-L91 WeakPolarHBondContact OD1-CG 3.47Å; N89-L91 PolarHBondContact OD1-N 3.37Å; L91-F135 HydrophobicContact CD2-CD1 4.02Å; L91-F135 HydrophobicContact CD2-CE1 3.87Å; L91-F145 HydrophobicContact CD2-CE1 4.13Å; L91-F145 HydrophobicContact CD2-CZ 3.68Å | ||
| 92 | L | 89.6 | Confident | 88.2 | Confident | 37 Ų | 37 | 51.6 Ų | 51.6 | 19% | 0.194 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 119.3 | 169.3 | -66.5 | 171.8 | 0 | 0 | 0 | 110.1 | V94 E147 I149 R165 | L92-V94 PolarHBondContact O-N 2.83Å; L92-E147 PolarHBondContact N-OE1 2.98Å; L92-E147 PolarHBondContact N-OE2 3.16Å; L92-I149 HydrophobicContact CB-CD1 4.04Å; L92-I149 HydrophobicContact CD1-CD1 3.89Å; L92-R165 HydrophobicContact CD2-CG 3.9Å |
| 93 | K | 88.6 | Confident | 88 | Confident | 103 Ų | 103 | 46 Ų | 46 | 45% | 0.448 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 114.6 | 168.7 | -172.4 | 174 | -174.1 | 165.3 | 0 | 109 | V164 Q166 | K93-V164 WeakPolarHBondContact CA-O 3.48Å; K93-V164 WeakPolarHBondContact CB-O 3.2Å; K93-V164 PolarHBondContact N-O 2.85Å; K93-V164 PolarHBondContact O-N 3.2Å; K93-V164 VanDerWaalsContact O-N 3.14Å; K93-Q166 HydrophobicContact CB-CB 4.31Å; K93-Q166 HydrophobicContact CD-CB 4.24Å; K93-Q166 HydrophobicContact CD-CG 4.24Å |
| 94 | V | 90.3 | Very high | 87.7 | Confident | 9 Ų | 9 | 45.2 Ų | 45.2 | 6% | 0.055 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 121.6 | 171.6 | -173.1 | 0 | 0 | 0 | 0 | 108.4 | L92 V131 I149 F151 F161 | L92-V94 PolarHBondContact O-N 2.83Å; V94-V131 HydrophobicContact CB-CG1 4.41Å; V94-V131 HydrophobicContact CG1-CG1 3.97Å; V94-V131 HydrophobicContact CG1-CG2 4.35Å; V94-I149 HydrophobicContact CG2-CD1 3.75Å; V94-I149 HydrophobicContact CG2-CG1 4.44Å; V94-I149 HydrophobicContact CG2-CG2 4.03Å; V94-F151 HydrophobicContact CG1-CE1 3.72Å; V94-F151 HydrophobicContact CG1-CZ 4.16Å; V94-F161 HydrophobicContact CG1-CB 4.4Å; V94-F161 HydrophobicContact CG1-CD1 3.83Å; V94-F161 HydrophobicContact CG1-CG 4.43Å |
| 95 | A | 90 | Very high | 87.6 | Confident | 34 Ų | 34 | 44.8 Ų | 44.8 | 28% | 0.281 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 134.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | K97 F161 S162 | A95-K97 PolarHBondContact O-N 2.81Å; A95-F161 CarbonylContact O-C 3.52Å; A95-F161 VanDerWaalsContact O-CA 3.31Å; A95-F161 WeakPolarHBondContact O-CA 3.22Å; A95-S162 WeakPolarHBondContact CB-OG 3.49Å; A95-S162 PolarHBondContact N-O 2.89Å; A95-S162 PolarHBondContact O-N 2.85Å; A95-S162 PolarHBondContact O-OG 2.81Å |
| 96 | L | 90.6 | Very high | 87.7 | Confident | 13 Ų | 13 | 41 Ų | 41 | 7% | 0.068 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 122 | 171.8 | -176.3 | 61.3 | 0 | 0 | 0 | 108.2 | R98 Y100 F122 I129 A159 F161 | L96-R98 HydrophobicContact CG-CB 4.42Å; L96-R98 PolarHBondContact O-N 2.92Å; L96-Y100 HydrophobicContact CB-CD1 4.35Å; L96-Y100 HydrophobicContact CD2-CD1 4.05Å; L96-F122 HydrophobicContact CB-CD1 4.41Å; L96-F122 HydrophobicContact CD2-CB 3.9Å; L96-F122 HydrophobicContact CD2-CD1 4.49Å; L96-F122 HydrophobicContact CD2-CG 4.17Å; L96-I129 HydrophobicContact CD2-CD1 4.2Å; L96-A159 HydrophobicContact CD1-CB 4.29Å; L96-F161 HydrophobicContact CB-CD1 4.27Å; L96-F161 HydrophobicContact CB-CE1 4.17Å; L96-F161 HydrophobicContact CD1-CD1 4.16Å; L96-F161 HydrophobicContact CD1-CE1 3.85Å; L96-F161 HydrophobicContact CD1-CE2 4.38Å; L96-F161 HydrophobicContact CD1-CZ 3.99Å |
| 97 | K | 88.9 | Confident | 88 | Confident | 120 Ų | 120 | 41.4 Ų | 41.4 | 52% | 0.522 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -70.4 | -17.4 | -177.8 | -73.5 | -172.9 | 166.8 | -173.7 | 0 | 113.5 | A95 S160 T214 | A95-K97 PolarHBondContact O-N 2.81Å; K97-S160 WeakPolarHBondContact CB-O 3.47Å; K97-S160 PolarHBondContact N-O 3.13Å; K97-T214 HydrophobicContact CD-CG2 4.24Å; K97-T214 PolarHBondContact NZ-OG1 3.23Å |
| 98 | R | 80.6 | Confident | 88.4 | Confident | 107 Ų | 107 | 40.5 Ų | 40.5 | 40% | 0.404 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -93.4 | 159.8 | -178.2 | -72.3 | -174.5 | 172.6 | -138 | 8.7 | 111.2 | L96 Y100 E157 | L96-R98 HydrophobicContact CG-CB 4.42Å; L96-R98 PolarHBondContact O-N 2.92Å; R98-Y100 WeakPolarHBondContact O-CD1 2.84Å; R98-E157 IonicContact CZ-OE2 3.53Å; R98-E157 IonicContact NH1-OE2 2.69Å; R98-E157 PolarHBondContact NH1-OE2 3.18Å; R98-E157 IonicContact NH2-OE2 3.64Å |
| 99 | S | 83.6 | Confident | 88.9 | Confident | 105 Ų | 105 | 40.5 Ų | 40.5 | 73% | 0.734 | 22% | 0.217 | S | C | * | . | trans | -65.7 | 139.7 | 169.6 | 51.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 100 | Y | 84.1 | Confident | 89.3 | Confident | 108 Ų | 108 | 41 Ų | 41 | 42% | 0.424 | 22% | 0.218 | S | C | . | . | trans | -132.7 | 152 | 174.2 | 51 | -93.1 | 0 | 0 | 0 | 107.7 | L96 R98 S102 A103 F122 S123 | L96-Y100 HydrophobicContact CB-CD1 4.35Å; L96-Y100 HydrophobicContact CD2-CD1 4.05Å; R98-Y100 WeakPolarHBondContact O-CD1 2.84Å; Y100-S102 WeakPolarHBondContact CD2-O 3.33Å; Y100-A103 HydrophobicContact CD2-CB 4.13Å; Y100-A103 HydrophobicContact CE2-CB 3.66Å; Y100-F122 HydrophobicContact CD1-CD1 4.07Å; Y100-F122 HydrophobicContact CD2-CD1 4.28Å; Y100-F122 HydrophobicContact CE1-CD1 4.09Å; Y100-F122 HydrophobicContact CE1-CE1 4.36Å; Y100-F122 HydrophobicContact CE2-CD1 4.31Å; Y100-F122 HydrophobicContact CG-CD1 4.15Å; Y100-S123 WeakPolarHBondContact CA-O 3.46Å; Y100-S123 WeakPolarHBondContact CB-O 3.41Å | ||
| 101 | S | 80.5 | Confident | 89.7 | Confident | 95 Ų | 95 | 40.1 Ų | 40.1 | 66% | 0.664 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -77.8 | -34.7 | -178.5 | 50.1 | 0 | 0 | 0 | 0 | 112.1 | S123 | S101-S123 PolarHBondContact N-O 3.37Å; S101-S123 WeakPolarHBondContact OG-CB 3.45Å; S101-S123 PolarHBondContact OG-O 3.42Å; S101-S123 PolarHBondContact OG-OG 3.45Å |
| 102 | S | 80.8 | Confident | 89.9 | Confident | 6 Ų | 6 | 41.2 Ų | 41.2 | 4% | 0.042 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 158.7 | 179.6 | 66.4 | 0 | 0 | 0 | 0 | 112.1 | D15 Y100 S123 | D15-S102 WeakPolarHBondContact CB-OG 3.37Å; D15-S102 PolarHBondContact O-OG 3.22Å; D15-S102 WeakPolarHBondContact OD2-CB 3.35Å; Y100-S102 WeakPolarHBondContact CD2-O 3.33Å; S102-S123 PolarHBondContact O-N 2.83Å; S102-S123 WeakPolarHBondContact OG-CB 3.36Å |
| 103 | A | 85.3 | Confident | 90.3 | Very high | 37 Ų | 37 | 42.6 Ų | 42.6 | 31% | 0.306 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 130.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y100 C121 F122 | Y100-A103 HydrophobicContact CD2-CB 4.13Å; Y100-A103 HydrophobicContact CE2-CB 3.66Å; A103-C121 VanDerWaalsContact CA-O 3.31Å; A103-C121 WeakPolarHBondContact CA-O 3.45Å; A103-F122 HydrophobicContact CB-CD1 3.88Å; A103-F122 HydrophobicContact CB-CE1 4.07Å |
| 104 | L | 89 | Confident | 90.7 | Very high | 10 Ų | 10 | 37.8 Ų | 37.8 | 5% | 0.052 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 138.7 | 175.7 | -62 | -179.9 | 0 | 0 | 0 | 109 | L13 F19 F22 E120 C121 | L13-L104 HydrophobicContact CB-CD2 4.44Å; L13-L104 HydrophobicContact CD2-CD2 3.2Å; L13-L104 HydrophobicContact CG-CD2 4.35Å; F19-L104 HydrophobicContact CB-CD1 4.36Å; F19-L104 HydrophobicContact CD2-CD1 4.25Å; F22-L104 HydrophobicContact CB-CD1 4.22Å; F22-L104 HydrophobicContact CD1-CB 4.42Å; F22-L104 HydrophobicContact CD1-CD1 4.37Å; F22-L104 HydrophobicContact CD2-CB 4.19Å; F22-L104 HydrophobicContact CE2-CB 4.44Å; F22-L104 HydrophobicContact CG-CB 4.17Å; F22-L104 HydrophobicContact CG-CD1 4.35Å; L104-E120 CarbonylContact O-C 3.54Å; L104-E120 WeakPolarHBondContact O-CA 3.22Å; L104-C121 HydrophobicContact CB-CB 4.37Å; L104-C121 PolarHBondContact N-O 3.24Å; L104-C121 PolarHBondContact O-N 2.82Å |
| 105 | G | 91.3 | Very high | 91.1 | Very high | 2 Ų | 2 | 37.3 Ų | 37.3 | 2% | 0.021 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 163.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y42 F43 I119 | Y42-G105 CarbonylContact C-O 3.59Å; Y42-G105 WeakPolarHBondContact CA-O 3.04Å; F43-G105 PolarHBondContact N-O 2.93Å; F43-G105 PolarHBondContact O-N 3.36Å; F43-G105 VanDerWaalsContact O-O 3.08Å; G105-I119 CarbonylContact C-O 3.27Å; G105-I119 WeakPolarHBondContact CA-O 3.03Å |
| 106 | A | 94.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 145.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | F22 I26 I40 R41 Y42 F43 K118 I119 | F22-A106 HydrophobicContact CE2-CB 4.3Å; F22-A106 HydrophobicContact CZ-CB 3.74Å; I26-A106 HydrophobicContact CD1-CB 3.99Å; I40-A106 HydrophobicContact CG2-CB 3.85Å; R41-A106 CarbonylContact O-C 3.47Å; R41-A106 VanDerWaalsContact O-CA 3.3Å; R41-A106 WeakPolarHBondContact O-CA 3.06Å; Y42-A106 HydrophobicContact CD1-CB 3.89Å; Y42-A106 HydrophobicContact CE1-CB 4.29Å; Y42-A106 HydrophobicContact CG-CB 4.49Å; F43-A106 VanDerWaalsContact CE1-N 3.33Å; A106-K118 WeakPolarHBondContact O-CA 3.13Å; A106-I119 PolarHBondContact N-O 3.1Å; A106-I119 PolarHBondContact O-N 3.09Å |
| 107 | Y | 96 | Very high | 91.8 | Very high | 17 Ų | 17 | 35.1 Ų | 35.1 | 7% | 0.067 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 127.5 | 161.2 | -68.8 | -81.8 | 0 | 0 | 0 | 109 | I40 R41 F43 P56 L67 M68 V116 E117 K118 | I40-Y107 CarbonylContact C-O 3.58Å; I40-Y107 WeakPolarHBondContact CA-O 3.26Å; R41-Y107 PolarHBondContact N-O 2.65Å; R41-Y107 PolarHBondContact O-N 2.73Å; F43-Y107 AromaticContact CD1-CD2 3.71Å; F43-Y107 HydrophobicContact CD1-CD2 3.71Å; F43-Y107 AromaticContact CD1-CE2 3.77Å; F43-Y107 HydrophobicContact CD1-CE2 3.77Å; F43-Y107 AromaticContact CE1-CD2 3.45Å; F43-Y107 HydrophobicContact CE1-CD2 3.45Å; F43-Y107 VanDerWaalsContact CE1-CD2 3.45Å; F43-Y107 AromaticContact CE1-CE2 3.44Å; F43-Y107 HydrophobicContact CE1-CE2 3.44Å; F43-Y107 VanDerWaalsContact CE1-CE2 3.44Å; F43-Y107 HydrophobicContact CE1-CG 4.24Å; F43-Y107 HydrophobicContact CZ-CE2 4.22Å; P56-Y107 HydrophobicContact CB-CD1 3.9Å; P56-Y107 HydrophobicContact CB-CD2 4.5Å; P56-Y107 HydrophobicContact CB-CG 3.84Å; P56-Y107 VanDerWaalsContact CG-CB 3.43Å; P56-Y107 HydrophobicContact CG-CD1 4.13Å; P56-Y107 HydrophobicContact CG-CD2 3.86Å; P56-Y107 HydrophobicContact CG-CG 3.55Å; L67-Y107 HydrophobicContact CB-CE1 4.32Å; L67-Y107 PolarHBondContact O-OH 2.97Å; M68-Y107 HydrophobicContact CG-CE2 4.38Å; M68-Y107 HydrophobicContact SD-CD2 4.31Å; M68-Y107 HydrophobicContact SD-CE2 4.18Å; Y107-V116 HydrophobicContact CD1-CG1 3.96Å; Y107-E117 CarbonylContact C-O 3.48Å; Y107-E117 WeakPolarHBondContact CA-O 3.18Å; Y107-K118 HydrophobicContact CD1-CB 3.83Å; Y107-K118 HydrophobicContact CD1-CG 3.98Å; Y107-K118 HydrophobicContact CE1-CB 3.73Å; Y107-K118 HydrophobicContact CE1-CD 3.67Å; Y107-K118 HydrophobicContact CE1-CG 3.6Å; Y107-K118 WeakPolarHBondContact OH-CE 3.48Å |
| 108 | V | 97 | Very high | 92.1 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 99.9 | 177.1 | -176.4 | 0 | 0 | 0 | 0 | 107.7 | I26 Y29 T38 A39 I40 R110 V116 E117 I119 | I26-V108 HydrophobicContact CD1-CG2 4.13Å; Y29-V108 HydrophobicContact CD1-CG1 3.6Å; Y29-V108 HydrophobicContact CD2-CG1 4.16Å; Y29-V108 HydrophobicContact CD2-CG2 4.31Å; Y29-V108 HydrophobicContact CE1-CG1 3.97Å; Y29-V108 HydrophobicContact CE2-CG2 4.47Å; Y29-V108 HydrophobicContact CG-CG1 3.69Å; T38-V108 HydrophobicContact CG2-CG1 3.5Å; A39-V108 CarbonylContact O-C 3.57Å; A39-V108 WeakPolarHBondContact O-CA 3.43Å; I40-V108 HydrophobicContact CG1-CG1 4.33Å; I40-V108 HydrophobicContact CG1-CG2 4.28Å; I40-V108 HydrophobicContact CG2-CG2 4.37Å; V108-R110 HydrophobicContact CG1-CG 4.04Å; V108-V116 CarbonylContact O-C 3.57Å; V108-V116 WeakPolarHBondContact O-CA 3.07Å; V108-E117 HydrophobicContact CB-CB 4.28Å; V108-E117 PolarHBondContact N-O 2.85Å; V108-E117 PolarHBondContact O-N 3.4Å; V108-I119 HydrophobicContact CG2-CD1 4.34Å |
| 109 | T | 98 | Very high | 92.8 | Very high | 4 Ų | 4 | 26 Ų | 26 | 3% | 0.025 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 118.4 | 177.2 | -55.2 | 0 | 0 | 0 | 0 | 109 | T38 A39 F111 V116 Y272 | T38-T109 CarbonylContact C-O 3.59Å; T38-T109 VanDerWaalsContact CA-O 3.28Å; T38-T109 WeakPolarHBondContact CA-O 3.21Å; A39-T109 PolarHBondContact N-O 2.91Å; A39-T109 PolarHBondContact O-N 2.92Å; T109-F111 HydrophobicContact CG2-CD1 3.83Å; T109-F111 HydrophobicContact CG2-CE1 3.65Å; T109-V116 HydrophobicContact CG2-CG2 3.94Å; T109-Y272 HydrophobicContact CG2-CD1 4.34Å; T109-Y272 HydrophobicContact CG2-CE1 3.74Å |
| 110 | R | 97.8 | Very high | 93.3 | Very high | 25 Ų | 25 | 22.1 Ų | 22.1 | 9% | 0.094 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 99.1 | -176.3 | -56.2 | 176.4 | 75.1 | 179.7 | 8.3 | 109.4 | E32 T38 V108 T112 K113 G114 V115 E117 | E32-R110 IonicContact OE1-CZ 3.6Å; E32-R110 IonicContact OE1-NE 2.65Å; E32-R110 IonicContact OE1-NH2 2.96Å; E32-R110 PolarHBondContact OE1-NH2 2.84Å; E32-R110 IonicContact OE2-CZ 3.62Å; E32-R110 IonicContact OE2-NE 3Å; E32-R110 PolarHBondContact OE2-NE 2.93Å; E32-R110 IonicContact OE2-NH2 2.63Å; E32-R110 PolarHBondContact OE2-NH2 2.93Å; T38-R110 HydrophobicContact CG2-CG 4.17Å; V108-R110 HydrophobicContact CG1-CG 4.04Å; R110-T112 PolarHBondContact O-N 3.26Å; R110-K113 HydrophobicContact CB-CB 4.17Å; R110-K113 PolarHBondContact O-N 2.8Å; R110-K113 VanDerWaalsContact O-N 3.17Å; R110-G114 PolarHBondContact O-N 2.79Å; R110-V115 HydrophobicContact CB-CG2 3.96Å; R110-V115 HydrophobicContact CG-CG2 4.29Å; R110-V115 PolarHBondContact N-O 3.17Å; R110-E117 WeakPolarHBondContact CD-OE1 3.09Å; R110-E117 IonicContact CZ-OE1 2.66Å; R110-E117 IonicContact NH1-OE1 2.9Å; R110-E117 PolarHBondContact NH1-OE1 3.31Å |
| 111 | F | 97.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -43 | -168.2 | -58.5 | -40 | 0 | 0 | 0 | 113 | D37 A39 W54 T109 K113 W247 N268 A269 Y272 | D37-F111 VanDerWaalsContact C-CD2 3.47Å; D37-F111 VanDerWaalsContact O-CB 3.28Å; D37-F111 WeakPolarHBondContact O-CB 3.44Å; D37-F111 VanDerWaalsContact O-CD2 3.25Å; D37-F111 WeakPolarHBondContact O-CD2 3.3Å; D37-F111 WeakPolarHBondContact O-CG 3.16Å; D37-F111 PolarHBondContact O-N 2.77Å; A39-F111 HydrophobicContact CB-CE1 4.32Å; A39-F111 HydrophobicContact CB-CE2 4.3Å; A39-F111 HydrophobicContact CB-CZ 3.68Å; W54-F111 HydrophobicContact CD2-CZ 4.49Å; W54-F111 HydrophobicContact CE3-CE2 4.21Å; W54-F111 AromaticContact CE3-CZ 3.59Å; W54-F111 HydrophobicContact CE3-CZ 3.59Å; W54-F111 AromaticContact CZ3-CE2 3.94Å; W54-F111 HydrophobicContact CZ3-CE2 3.94Å; W54-F111 AromaticContact CZ3-CZ 3.81Å; W54-F111 HydrophobicContact CZ3-CZ 3.81Å; T109-F111 HydrophobicContact CG2-CD1 3.83Å; T109-F111 HydrophobicContact CG2-CE1 3.65Å; F111-K113 PolarHBondContact O-N 2.92Å; F111-W247 HydrophobicContact CB-CZ2 4.14Å; F111-W247 PolarHBondContact O-NE1 3.2Å; F111-N268 HydrophobicContact CD2-CB 3.97Å; F111-A269 HydrophobicContact CE1-CB 4.15Å; F111-A269 HydrophobicContact CE2-CB 3.87Å; F111-A269 HydrophobicContact CZ-CB 3.53Å; F111-Y272 HydrophobicContact CB-CD2 4.17Å; F111-Y272 HydrophobicContact CB-CG 4.17Å; F111-Y272 AromaticContact CD1-CD1 3.6Å; F111-Y272 HydrophobicContact CD1-CD1 3.6Å; F111-Y272 AromaticContact CD1-CD2 4Å; F111-Y272 HydrophobicContact CD1-CD2 4Å; F111-Y272 HydrophobicContact CD1-CE1 4.29Å; F111-Y272 AromaticContact CD1-CG 3.43Å; F111-Y272 HydrophobicContact CD1-CG 3.43Å; F111-Y272 VanDerWaalsContact CD1-CG 3.43Å; F111-Y272 AromaticContact CE1-CD1 3.95Å; F111-Y272 HydrophobicContact CE1-CD1 3.95Å; F111-Y272 HydrophobicContact CE1-CG 4.21Å; F111-Y272 HydrophobicContact CG-CG 4.17Å; F111-Y272 WeakPolarHBondContact O-CD2 3.44Å |
| 112 | T | 95.3 | Very high | 94.2 | Very high | 34 Ų | 34 | 12.9 Ų | 12.9 | 21% | 0.209 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -12.6 | -177.8 | 56.4 | 0 | 0 | 0 | 0 | 113.6 | D37 R110 W247 | D37-T112 HydrophobicContact CB-CG2 4.04Å; R110-T112 PolarHBondContact O-N 3.26Å; T112-W247 HydrophobicContact CG2-CD2 4.09Å; T112-W247 HydrophobicContact CG2-CE3 4.4Å; T112-W247 HydrophobicContact CG2-CG 4.23Å |
| 113 | K | 96.8 | Very high | 94.5 | Very high | 65 Ų | 65 | 12.8 Ų | 12.8 | 28% | 0.283 | 7% | 0.068 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | -17.9 | -176.9 | -65.8 | -168.7 | -178.6 | -169 | 0 | 114.1 | R110 F111 V115 H239 L240 | R110-K113 HydrophobicContact CB-CB 4.17Å; R110-K113 PolarHBondContact O-N 2.8Å; R110-K113 VanDerWaalsContact O-N 3.17Å; F111-K113 PolarHBondContact O-N 2.92Å; K113-V115 HydrophobicContact CB-CG1 4.48Å; K113-V115 HydrophobicContact CB-CG2 3.99Å; K113-H239 PolarHBondContact O-NE2 3.05Å; K113-H239 VanDerWaalsContact O-NE2 3.11Å; K113-L240 HydrophobicContact CB-CD2 3.85Å; K113-L240 HydrophobicContact CD-CD2 4.25Å; K113-L240 HydrophobicContact CG-CD2 4.21Å |
| 114 | G | 97.6 | Very high | 94.4 | Very high | 2 Ų | 2 | 12.9 Ų | 12.9 | 2% | 0.021 | 6% | 0.061 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.7 | 17.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | R110 H239 | R110-G114 PolarHBondContact O-N 2.79Å; G114-H239 PolarHBondContact O-CE1 3.11Å; G114-H239 PolarHBondContact O-NE2 3.46Å |
| 115 | V | 98.3 | Very high | 94 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 152.6 | -169.3 | -52.3 | 0 | 0 | 0 | 0 | 111.7 | R110 K113 L134 F135 Y236 L240 | R110-V115 HydrophobicContact CB-CG2 3.96Å; R110-V115 HydrophobicContact CG-CG2 4.29Å; R110-V115 PolarHBondContact N-O 3.17Å; K113-V115 HydrophobicContact CB-CG1 4.48Å; K113-V115 HydrophobicContact CB-CG2 3.99Å; V115-L134 HydrophobicContact CB-CD1 3.88Å; V115-L134 HydrophobicContact CG1-CD1 4.32Å; V115-L134 HydrophobicContact CG2-CD1 4.17Å; V115-F135 WeakPolarHBondContact CA-O 3.46Å; V115-Y236 HydrophobicContact CG1-CE2 3.97Å; V115-L240 HydrophobicContact CG1-CD2 4.34Å |
| 116 | V | 98.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 131.4 | 166.7 | 178.1 | 0 | 0 | 0 | 0 | 109 | P56 V58 L67 Y107 V108 T109 F135 | P56-V116 HydrophobicContact CB-CG1 4.12Å; V58-V116 HydrophobicContact CG1-CB 4.1Å; V58-V116 HydrophobicContact CG1-CG2 3.62Å; L67-V116 HydrophobicContact CD1-CB 3.5Å; L67-V116 VanDerWaalsContact CD1-CB 3.5Å; L67-V116 HydrophobicContact CD1-CG1 3.53Å; L67-V116 HydrophobicContact CD1-CG2 3.78Å; Y107-V116 HydrophobicContact CD1-CG1 3.96Å; V108-V116 CarbonylContact O-C 3.57Å; V108-V116 WeakPolarHBondContact O-CA 3.07Å; T109-V116 HydrophobicContact CG2-CG2 3.94Å; V116-F135 HydrophobicContact CB-CB 4.44Å; V116-F135 HydrophobicContact CG1-CD2 4.48Å; V116-F135 PolarHBondContact N-O 3.26Å; V116-F135 WeakPolarHBondContact O-CD2 3.44Å; V116-F135 PolarHBondContact O-N 2.69Å |
| 117 | E | 97.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 119.3 | 174.8 | -62 | -178.1 | -133.1 | 0 | 0 | 109.3 | Y29 Y107 V108 R110 R132 S133 L134 | Y29-E117 VanDerWaalsContact OH-CD 3.31Å; Y29-E117 PolarHBondContact OH-OE1 2.85Å; Y29-E117 PolarHBondContact OH-OE2 2.84Å; Y107-E117 CarbonylContact C-O 3.48Å; Y107-E117 WeakPolarHBondContact CA-O 3.18Å; V108-E117 HydrophobicContact CB-CB 4.28Å; V108-E117 PolarHBondContact N-O 2.85Å; V108-E117 PolarHBondContact O-N 3.4Å; R110-E117 WeakPolarHBondContact CD-OE1 3.09Å; R110-E117 IonicContact CZ-OE1 2.66Å; R110-E117 IonicContact NH1-OE1 2.9Å; R110-E117 PolarHBondContact NH1-OE1 3.31Å; E117-R132 VanDerWaalsContact CD-NH2 3.27Å; E117-R132 IonicContact OE1-NH2 3.9Å; E117-R132 IonicContact OE2-CZ 3.4Å; E117-R132 VanDerWaalsContact OE2-CZ 3.23Å; E117-R132 IonicContact OE2-NE 2.9Å; E117-R132 PolarHBondContact OE2-NE 3Å; E117-R132 IonicContact OE2-NH2 2.87Å; E117-R132 PolarHBondContact OE2-NH2 2.74Å; E117-S133 CarbonylContact C-O 3.59Å; E117-S133 WeakPolarHBondContact CA-O 3.15Å; E117-L134 HydrophobicContact CG-CD1 3.6Å |
| 118 | K | 96.1 | Very high | 93 | Very high | 31 Ų | 31 | 23.4 Ų | 23.4 | 14% | 0.135 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 119.2 | 169.2 | -173.2 | -168.5 | -172.9 | -150.7 | 0 | 108.6 | F43 A106 Y107 E120 R132 S133 F135 | F43-K118 HydrophobicContact CE1-CG 4.26Å; F43-K118 HydrophobicContact CZ-CD 4.34Å; F43-K118 VanDerWaalsContact CZ-CE 3.47Å; F43-K118 HydrophobicContact CZ-CG 3.91Å; A106-K118 WeakPolarHBondContact O-CA 3.13Å; Y107-K118 HydrophobicContact CD1-CB 3.83Å; Y107-K118 HydrophobicContact CD1-CG 3.98Å; Y107-K118 HydrophobicContact CE1-CB 3.73Å; Y107-K118 HydrophobicContact CE1-CD 3.67Å; Y107-K118 HydrophobicContact CE1-CG 3.6Å; Y107-K118 WeakPolarHBondContact OH-CE 3.48Å; K118-E120 HydrophobicContact CD-CG 4.43Å; K118-E120 VanDerWaalsContact CE-OE1 3.27Å; K118-E120 WeakPolarHBondContact CE-OE1 3.46Å; K118-E120 WeakPolarHBondContact CE-OE2 3.46Å; K118-E120 HydrophobicContact CG-CG 4.26Å; K118-E120 IonicContact NZ-OE1 3.94Å; K118-E120 PolarHBondContact NZ-OE1 2.88Å; K118-E120 IonicContact NZ-OE2 3.89Å; K118-E120 PolarHBondContact NZ-OE2 2.86Å; K118-R132 CarbonylContact O-C 3.55Å; K118-R132 WeakPolarHBondContact O-CA 3.05Å; K118-S133 PolarHBondContact N-O 3Å; K118-S133 PolarHBondContact O-N 3.3Å; K118-F135 HydrophobicContact CB-CE2 3.68Å |
| 119 | I | 95.1 | Very high | 92.7 | Very high | 6 Ų | 6 | 23.6 Ų | 23.6 | 3% | 0.031 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 125.7 | 177.5 | -61 | 166.5 | 0 | 0 | 0 | 107 | F22 Q25 I26 Y29 G105 A106 V108 | F22-I119 HydrophobicContact CD2-CG2 4.32Å; F22-I119 HydrophobicContact CE2-CG2 4.26Å; Q25-I119 HydrophobicContact CB-CD1 4.36Å; Q25-I119 HydrophobicContact CB-CG2 4.26Å; Q25-I119 HydrophobicContact CG-CG2 4.45Å; I26-I119 HydrophobicContact CD1-CD1 4.09Å; Y29-I119 HydrophobicContact CE2-CD1 3.98Å; G105-I119 CarbonylContact C-O 3.27Å; G105-I119 WeakPolarHBondContact CA-O 3.03Å; A106-I119 PolarHBondContact N-O 3.1Å; A106-I119 PolarHBondContact O-N 3.09Å; V108-I119 HydrophobicContact CG2-CD1 4.34Å |
| 120 | E | 93 | Very high | 92.4 | Very high | 22 Ų | 22 | 26.1 Ų | 26.1 | 10% | 0.103 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 135.1 | 177.4 | -68.3 | 175.8 | 115.2 | 0 | 0 | 110.1 | F43 L104 K118 F122 R130 V131 | F43-E120 HydrophobicContact CE2-CG 3.95Å; F43-E120 HydrophobicContact CZ-CG 3.81Å; L104-E120 CarbonylContact O-C 3.54Å; L104-E120 WeakPolarHBondContact O-CA 3.22Å; K118-E120 HydrophobicContact CD-CG 4.43Å; K118-E120 VanDerWaalsContact CE-OE1 3.27Å; K118-E120 WeakPolarHBondContact CE-OE1 3.46Å; K118-E120 WeakPolarHBondContact CE-OE2 3.46Å; K118-E120 HydrophobicContact CG-CG 4.26Å; K118-E120 IonicContact NZ-OE1 3.94Å; K118-E120 PolarHBondContact NZ-OE1 2.88Å; K118-E120 IonicContact NZ-OE2 3.89Å; K118-E120 PolarHBondContact NZ-OE2 2.86Å; E120-F122 HydrophobicContact CB-CE2 3.87Å; E120-F122 HydrophobicContact CB-CZ 4.12Å; E120-R130 CarbonylContact O-C 3.52Å; E120-R130 WeakPolarHBondContact O-CA 3.42Å; E120-V131 HydrophobicContact CB-CB 4.33Å; E120-V131 PolarHBondContact N-O 2.92Å; E120-V131 PolarHBondContact O-N 3.18Å |
| 121 | C | 92.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 120.6 | -178.8 | -78.9 | 0 | 0 | 0 | 0 | 108.8 | C18 F22 A103 L104 C128 I129 | C18-C121 HydrophobicContact CB-CB 4.33Å; F22-C121 HydrophobicContact CB-CB 4.38Å; F22-C121 HydrophobicContact CD2-CB 4.22Å; A103-C121 VanDerWaalsContact CA-O 3.31Å; A103-C121 WeakPolarHBondContact CA-O 3.45Å; L104-C121 HydrophobicContact CB-CB 4.37Å; L104-C121 PolarHBondContact N-O 3.24Å; L104-C121 PolarHBondContact O-N 2.82Å; C121-C128 VanDerWaalsContact CB-SG 3.56Å; C121-I129 CarbonylContact C-O 3.56Å; C121-I129 WeakPolarHBondContact CA-O 3.26Å |
| 122 | F | 91.2 | Very high | 92.1 | Very high | 9 Ų | 9 | 28.7 Ų | 28.7 | 4% | 0.039 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 122.3 | 179.4 | -57.3 | -87.5 | 0 | 0 | 0 | 109.9 | C18 L96 Y100 A103 E120 I129 V131 | C18-F122 PolarHBondContact SG-O 2.97Å; C18-F122 VanDerWaalsContact SG-O 3.38Å; L96-F122 HydrophobicContact CB-CD1 4.41Å; L96-F122 HydrophobicContact CD2-CB 3.9Å; L96-F122 HydrophobicContact CD2-CD1 4.49Å; L96-F122 HydrophobicContact CD2-CG 4.17Å; Y100-F122 HydrophobicContact CD1-CD1 4.07Å; Y100-F122 HydrophobicContact CD2-CD1 4.28Å; Y100-F122 HydrophobicContact CE1-CD1 4.09Å; Y100-F122 HydrophobicContact CE1-CE1 4.36Å; Y100-F122 HydrophobicContact CE2-CD1 4.31Å; Y100-F122 HydrophobicContact CG-CD1 4.15Å; A103-F122 HydrophobicContact CB-CD1 3.88Å; A103-F122 HydrophobicContact CB-CE1 4.07Å; E120-F122 HydrophobicContact CB-CE2 3.87Å; E120-F122 HydrophobicContact CB-CZ 4.12Å; F122-I129 HydrophobicContact CB-CB 4.41Å; F122-I129 PolarHBondContact N-O 3.05Å; F122-I129 PolarHBondContact O-N 2.63Å; F122-V131 HydrophobicContact CD2-CG2 4.29Å; F122-V131 HydrophobicContact CE2-CB 4.34Å; F122-V131 HydrophobicContact CE2-CG2 3.76Å |
| 123 | S | 88 | Confident | 92.1 | Very high | 5 Ų | 5 | 27.1 Ų | 27.1 | 4% | 0.035 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 121 | -179.2 | -168.6 | 0 | 0 | 0 | 0 | 110.5 | C18 Y100 S101 S102 | C18-S123 WeakPolarHBondContact SG-CA 3.45Å; C18-S123 PolarHBondContact SG-N 2.82Å; C18-S123 VanDerWaalsContact SG-N 3.39Å; Y100-S123 WeakPolarHBondContact CA-O 3.46Å; Y100-S123 WeakPolarHBondContact CB-O 3.41Å; S101-S123 PolarHBondContact N-O 3.37Å; S101-S123 WeakPolarHBondContact OG-CB 3.45Å; S101-S123 PolarHBondContact OG-O 3.42Å; S101-S123 PolarHBondContact OG-OG 3.45Å; S102-S123 PolarHBondContact O-N 2.83Å; S102-S123 WeakPolarHBondContact OG-CB 3.36Å |
| 124 | F | 83.4 | Confident | 92.1 | Very high | 38 Ų | 38 | 24.2 Ų | 24.2 | 17% | 0.167 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 125.2 | -177.6 | 175.4 | -93.9 | 0 | 0 | 0 | 110.4 | G126 H127 I129 T155 | F124-G126 VanDerWaalsContact C-N 3.27Å; F124-G126 PolarHBondContact O-N 3.45Å; F124-H127 PolarHBondContact N-O 3.4Å; F124-H127 CarbonylContact O-C 3.51Å; F124-H127 WeakPolarHBondContact O-CA 3.48Å; F124-H127 WeakPolarHBondContact O-CB 3.42Å; F124-H127 PolarHBondContact O-N 3.04Å; F124-I129 HydrophobicContact CB-CD1 4.22Å; F124-T155 HydrophobicContact CD1-CG2 3.73Å; F124-T155 HydrophobicContact CE1-CG2 4.37Å |
| 125 | D | 79.5 | Confident | 92.1 | Very high | 122 Ų | 122 | 24.4 Ų | 24.4 | 65% | 0.652 | 13% | 0.128 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | 42.6 | 174.8 | -165.7 | 34.6 | 0 | 0 | 0 | 114 | H127 | D125-H127 PolarHBondContact O-CD2 3.08Å; D125-H127 VanDerWaalsContact O-CD2 3.27Å; D125-H127 PolarHBondContact O-N 3.49Å; D125-H127 VanDerWaalsContact O-N 3.1Å |
| 126 | G | 82.7 | Confident | 92 | Very high | 59 Ų | 59 | 24.5 Ų | 24.5 | 61% | 0.608 | 13% | 0.129 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 69.3 | 4.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | A17 F124 | A17-G126 WeakPolarHBondContact CB-O 3.24Å; F124-G126 VanDerWaalsContact C-N 3.27Å; F124-G126 PolarHBondContact O-N 3.45Å |
| 127 | H | 87.6 | Confident | 91.9 | Very high | 68 Ų | 68 | 24.6 Ų | 24.6 | 32% | 0.315 | 13% | 0.129 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 162.1 | 174.7 | -67.1 | -71.7 | 0 | 0 | 0 | 111.2 | F124 D125 P154 T155 | F124-H127 PolarHBondContact N-O 3.4Å; F124-H127 CarbonylContact O-C 3.51Å; F124-H127 WeakPolarHBondContact O-CA 3.48Å; F124-H127 WeakPolarHBondContact O-CB 3.42Å; F124-H127 PolarHBondContact O-N 3.04Å; D125-H127 PolarHBondContact O-CD2 3.08Å; D125-H127 VanDerWaalsContact O-CD2 3.27Å; D125-H127 PolarHBondContact O-N 3.49Å; D125-H127 VanDerWaalsContact O-N 3.1Å; H127-P154 HydrophobicContact CB-CG 4.44Å; H127-T155 HydrophobicContact CB-CG2 3.9Å |
| 128 | C | 90 | Very high | 91.8 | Very high | 2 Ų | 2 | 24.6 Ų | 24.6 | 1% | 0.014 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 106.7 | 179.6 | -165 | 0 | 0 | 0 | 0 | 111.9 | C18 I21 C121 P154 | C18-C128 WeakPolarHBondContact CA-SG 3.06Å; C18-C128 HydrophobicContact CB-CB 3.96Å; C18-C128 WeakPolarHBondContact CB-SG 3.12Å; C18-C128 WeakPolarHBondContact SG-CA 3.44Å; C18-C128 WeakPolarHBondContact SG-CB 3.36Å; C18-C128 CovalentContact SG-SG 2.04Å; C18-C128 PolarHBondContact SG-SG 2.86Å; I21-C128 HydrophobicContact CB-CB 4.4Å; I21-C128 HydrophobicContact CD1-CB 3.49Å; I21-C128 VanDerWaalsContact CD1-CB 3.49Å; I21-C128 HydrophobicContact CG2-CB 4.42Å; C121-C128 VanDerWaalsContact CB-SG 3.56Å; C128-P154 WeakPolarHBondContact O-CD 3.34Å; C128-P154 WeakPolarHBondContact O-CG 3.49Å |
| 129 | I | 91.7 | Very high | 91.6 | Very high | 4 Ų | 4 | 23.3 Ų | 23.3 | 2% | 0.021 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 133.6 | 173.3 | -60.1 | 171.9 | 0 | 0 | 0 | 108.2 | L96 C121 F122 F124 T155 A159 F161 | L96-I129 HydrophobicContact CD2-CD1 4.2Å; C121-I129 CarbonylContact C-O 3.56Å; C121-I129 WeakPolarHBondContact CA-O 3.26Å; F122-I129 HydrophobicContact CB-CB 4.41Å; F122-I129 PolarHBondContact N-O 3.05Å; F122-I129 PolarHBondContact O-N 2.63Å; F124-I129 HydrophobicContact CB-CD1 4.22Å; I129-T155 HydrophobicContact CD1-CG2 3.9Å; I129-T155 HydrophobicContact CG1-CG2 3.68Å; I129-A159 HydrophobicContact CD1-CB 3.98Å; I129-F161 HydrophobicContact CG2-CE1 4.43Å; I129-F161 HydrophobicContact CG2-CE2 4.46Å; I129-F161 HydrophobicContact CG2-CZ 3.6Å |
| 130 | R | 91.8 | Very high | 91.4 | Very high | 57 Ų | 57 | 24.7 Ų | 24.7 | 22% | 0.215 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 140.9 | -177.4 | -55.5 | 177.9 | -76.7 | 163.9 | -2.8 | 111.7 | I21 Q25 E120 H152 | I21-R130 HydrophobicContact CG2-CG 4.38Å; Q25-R130 VanDerWaalsContact CD-NH1 3.31Å; E120-R130 CarbonylContact O-C 3.52Å; E120-R130 WeakPolarHBondContact O-CA 3.42Å; R130-H152 HydrophobicContact CB-CB 4.24Å; R130-H152 PolarHBondContact N-O 2.96Å; R130-H152 PolarHBondContact NE-CD2 3.02Å; R130-H152 VanDerWaalsContact NE-CD2 3.28Å; R130-H152 PolarHBondContact NH2-CD2 3.35Å; R130-H152 PolarHBondContact NH2-CE1 2.94Å; R130-H152 VanDerWaalsContact NH2-CE1 3.31Å; R130-H152 PolarHBondContact NH2-ND1 2.73Å; R130-H152 PolarHBondContact NH2-NE2 2.91Å; R130-H152 PolarHBondContact O-N 3.31Å |
| 131 | V | 93.4 | Very high | 91.2 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.006 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 128 | 170.5 | -177.8 | 0 | 0 | 0 | 0 | 107.6 | V94 E120 F122 I149 S150 F151 F161 | V94-V131 HydrophobicContact CB-CG1 4.41Å; V94-V131 HydrophobicContact CG1-CG1 3.97Å; V94-V131 HydrophobicContact CG1-CG2 4.35Å; E120-V131 HydrophobicContact CB-CB 4.33Å; E120-V131 PolarHBondContact N-O 2.92Å; E120-V131 PolarHBondContact O-N 3.18Å; F122-V131 HydrophobicContact CD2-CG2 4.29Å; F122-V131 HydrophobicContact CE2-CB 4.34Å; F122-V131 HydrophobicContact CE2-CG2 3.76Å; V131-I149 HydrophobicContact CG1-CG2 3.96Å; V131-S150 WeakPolarHBondContact CA-O 3.49Å; V131-F151 HydrophobicContact CG1-CD1 4.43Å; V131-F151 HydrophobicContact CG1-CE1 4.23Å; V131-F151 HydrophobicContact CG2-CD1 3.88Å; V131-F151 HydrophobicContact CG2-CE1 4.1Å; V131-F161 HydrophobicContact CG2-CD1 4.27Å; V131-F161 HydrophobicContact CG2-CE1 3.5Å; V131-F161 VanDerWaalsContact CG2-CE1 3.5Å; V131-F161 HydrophobicContact CG2-CZ 3.95Å |
| 132 | R | 94.7 | Very high | 91 | Very high | 77 Ų | 77 | 29.1 Ų | 29.1 | 29% | 0.291 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 120.8 | 172.6 | 168.6 | -177.3 | 179.2 | -99.5 | 3.6 | 108.9 | E117 K118 S150 | E117-R132 VanDerWaalsContact CD-NH2 3.27Å; E117-R132 IonicContact OE1-NH2 3.9Å; E117-R132 IonicContact OE2-CZ 3.4Å; E117-R132 VanDerWaalsContact OE2-CZ 3.23Å; E117-R132 IonicContact OE2-NE 2.9Å; E117-R132 PolarHBondContact OE2-NE 3Å; E117-R132 IonicContact OE2-NH2 2.87Å; E117-R132 PolarHBondContact OE2-NH2 2.74Å; K118-R132 CarbonylContact O-C 3.55Å; K118-R132 WeakPolarHBondContact O-CA 3.05Å; R132-S150 WeakPolarHBondContact CB-OG 3.3Å; R132-S150 PolarHBondContact N-O 3.42Å; R132-S150 PolarHBondContact O-N 2.77Å; R132-S150 PolarHBondContact O-OG 3.27Å; R132-S150 VanDerWaalsContact O-OG 3.06Å |
| 133 | S | 95 | Very high | 90.9 | Very high | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.014 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 123.5 | 173.2 | -55.8 | 0 | 0 | 0 | 0 | 109.9 | E117 K118 F135 E148 | E117-S133 CarbonylContact C-O 3.59Å; E117-S133 WeakPolarHBondContact CA-O 3.15Å; K118-S133 PolarHBondContact N-O 3Å; K118-S133 PolarHBondContact O-N 3.3Å; S133-F135 VanDerWaalsContact CB-CZ 3.42Å; S133-E148 CarbonylContact C-O 3.53Å; S133-E148 VanDerWaalsContact CA-O 3.27Å; S133-E148 WeakPolarHBondContact CA-O 3.38Å |
| 134 | L | 96.5 | Very high | 91.1 | Very high | 3 Ų | 3 | 38 Ų | 38 | 2% | 0.016 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 123.9 | 174.8 | 173.6 | 71.1 | 0 | 0 | 0 | 109 | V115 E117 Y136 E147 E148 Y236 | V115-L134 HydrophobicContact CB-CD1 3.88Å; V115-L134 HydrophobicContact CG1-CD1 4.32Å; V115-L134 HydrophobicContact CG2-CD1 4.17Å; E117-L134 HydrophobicContact CG-CD1 3.6Å; L134-Y136 HydrophobicContact CD2-CD1 4.37Å; L134-Y136 HydrophobicContact CD2-CE1 4.18Å; L134-Y136 HydrophobicContact CG-CD1 4.18Å; L134-Y136 HydrophobicContact CG-CE1 4.41Å; L134-E147 WeakPolarHBondContact O-CA 3.29Å; L134-E148 HydrophobicContact CB-CB 4.34Å; L134-E148 PolarHBondContact N-O 2.82Å; L134-E148 PolarHBondContact O-N 3.31Å; L134-Y236 HydrophobicContact CD2-CD2 4.28Å; L134-Y236 HydrophobicContact CD2-CE2 3.78Å |
| 135 | F | 97.3 | Very high | 91.6 | Very high | 7 Ų | 7 | 38.7 Ų | 38.7 | 3% | 0.031 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 133.1 | -178.8 | -53.3 | -82.3 | 0 | 0 | 0 | 110.6 | V58 L67 L91 V115 V116 K118 S133 F145 M146 E147 | V58-F135 HydrophobicContact CG1-CB 4.36Å; L67-F135 HydrophobicContact CD1-CB 3.94Å; L67-F135 HydrophobicContact CD1-CD2 3.91Å; L67-F135 HydrophobicContact CD1-CG 3.97Å; L67-F135 HydrophobicContact CD2-CB 4.23Å; L67-F135 HydrophobicContact CD2-CD1 4.02Å; L67-F135 HydrophobicContact CD2-CD2 4.45Å; L67-F135 HydrophobicContact CD2-CE1 4.48Å; L67-F135 HydrophobicContact CD2-CG 3.98Å; L91-F135 HydrophobicContact CD2-CD1 4.02Å; L91-F135 HydrophobicContact CD2-CE1 3.87Å; V115-F135 WeakPolarHBondContact CA-O 3.46Å; V116-F135 HydrophobicContact CB-CB 4.44Å; V116-F135 HydrophobicContact CG1-CD2 4.48Å; V116-F135 PolarHBondContact N-O 3.26Å; V116-F135 WeakPolarHBondContact O-CD2 3.44Å; V116-F135 PolarHBondContact O-N 2.69Å; K118-F135 HydrophobicContact CB-CE2 3.68Å; S133-F135 VanDerWaalsContact CB-CZ 3.42Å; F135-F145 HydrophobicContact CB-CE2 4.42Å; F135-F145 HydrophobicContact CD1-CE2 4.46Å; F135-F145 AromaticContact CD1-CZ 3.98Å; F135-F145 HydrophobicContact CD1-CZ 3.98Å; F135-M146 WeakPolarHBondContact CA-O 3.5Å; F135-E147 HydrophobicContact CD1-CB 4.15Å; F135-E147 HydrophobicContact CD1-CG 3.96Å; F135-E147 HydrophobicContact CE1-CB 4.27Å; F135-E147 HydrophobicContact CE1-CG 3.6Å; F135-E147 WeakPolarHBondContact CE1-OE1 3.41Å |
| 136 | Y | 97.7 | Very high | 92.3 | Very high | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.008 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 142.7 | 167.4 | 59.5 | -83.5 | 0 | 0 | 0 | 112.3 | L134 F145 M146 Y236 H239 | L134-Y136 HydrophobicContact CD2-CD1 4.37Å; L134-Y136 HydrophobicContact CD2-CE1 4.18Å; L134-Y136 HydrophobicContact CG-CD1 4.18Å; L134-Y136 HydrophobicContact CG-CE1 4.41Å; Y136-F145 WeakPolarHBondContact O-CD2 3.27Å; Y136-M146 HydrophobicContact CD1-CB 3.86Å; Y136-M146 HydrophobicContact CD2-CB 4.02Å; Y136-M146 HydrophobicContact CD2-CG 4.21Å; Y136-M146 HydrophobicContact CE1-CB 3.41Å; Y136-M146 VanDerWaalsContact CE1-CB 3.41Å; Y136-M146 HydrophobicContact CE1-CG 4.11Å; Y136-M146 HydrophobicContact CE2-CB 3.59Å; Y136-M146 HydrophobicContact CE2-CG 3.47Å; Y136-M146 VanDerWaalsContact CE2-CG 3.47Å; Y136-M146 HydrophobicContact CG-CB 4.14Å; Y136-M146 VanDerWaalsContact CZ-CG 3.41Å; Y136-M146 PolarHBondContact N-O 2.83Å; Y136-M146 PolarHBondContact O-N 3.22Å; Y136-M146 WeakPolarHBondContact OH-CG 3.3Å; Y136-Y236 HydrophobicContact CD1-CD2 4.24Å; Y136-Y236 HydrophobicContact CD1-CE2 4.36Å; Y136-Y236 AromaticContact CE1-CD2 3.68Å; Y136-Y236 HydrophobicContact CE1-CD2 3.68Å; Y136-Y236 HydrophobicContact CE1-CE2 4.18Å; Y136-Y236 HydrophobicContact CE2-CD2 4.43Å; Y136-Y236 AromaticContact CZ-CD2 3.79Å; Y136-H239 HydrophobicContact CD2-CB 4.3Å; Y136-H239 AromaticContact CD2-CE1 3.91Å; Y136-H239 AromaticContact CD2-CG 3.79Å; Y136-H239 AromaticContact CD2-ND1 3.72Å; Y136-H239 HydrophobicContact CE2-CB 4.26Å |
| 137 | A | 96.7 | Very high | 92.8 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.008 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 118 | 162 | 0 | 0 | 0 | 0 | 0 | 107.3 | N60 F63 R139 H239 | N60-A137 HydrophobicContact CB-CB 3.91Å; F63-A137 HydrophobicContact CE2-CB 3.69Å; F63-A137 HydrophobicContact CZ-CB 3.67Å; A137-R139 PolarHBondContact O-N 2.78Å; A137-H239 PolarHBondContact O-CE1 3.26Å; A137-H239 VanDerWaalsContact O-CE1 3.31Å; A137-H239 PolarHBondContact O-ND1 3.16Å |
| 138 | H | 94.5 | Very high | 93 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -59.7 | 133.1 | -175 | -163.3 | -60.3 | 0 | 0 | 0 | 110 | N60 V140 L141 V144 S235 | N60-H138 VanDerWaalsContact CB-O 3.29Å; N60-H138 WeakPolarHBondContact CB-O 3.33Å; N60-H138 PolarHBondContact ND2-O 2.86Å; H138-V140 PolarHBondContact ND1-N 3.45Å; H138-L141 HydrophobicContact CB-CB 4.04Å; H138-L141 PolarHBondContact ND1-N 2.95Å; H138-L141 VanDerWaalsContact O-O 3.07Å; H138-V144 HydrophobicContact CB-CB 3.9Å; H138-V144 HydrophobicContact CB-CG1 4.14Å; H138-V144 VanDerWaalsContact CB-O 3.3Å; H138-V144 WeakPolarHBondContact CB-O 3.34Å; H138-V144 PolarHBondContact N-O 3.08Å; H138-S235 PolarHBondContact CD2-OG 2.85Å; H138-S235 PolarHBondContact NE2-O 3.13Å; H138-S235 PolarHBondContact NE2-OG 2.97Å | ||
| 139 | R | 92.4 | Very high | 93.1 | Very high | 4 Ų | 4 | 36.8 Ų | 36.8 | 2% | 0.015 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -82.4 | -38.2 | -169 | -166.6 | 61.8 | 175.6 | -176.1 | 5.8 | 112.6 | A137 H239 A242 L275 Y278 L280 | A137-R139 PolarHBondContact O-N 2.78Å; R139-H239 PolarHBondContact N-ND1 3.33Å; R139-A242 HydrophobicContact CB-CB 3.95Å; R139-A242 HydrophobicContact CG-CB 3.92Å; R139-L275 VanDerWaalsContact CZ-O 3.24Å; R139-L275 PolarHBondContact NH1-O 2.92Å; R139-L275 PolarHBondContact NH2-O 3.03Å; R139-Y278 PolarHBondContact NH1-O 2.94Å; R139-Y278 PolarHBondContact NH2-O 2.91Å; R139-L280 HydrophobicContact CG-CB 4.35Å; R139-L280 HydrophobicContact CG-CD2 4.28Å |
| 140 | V | 89.5 | Confident | 93.1 | Very high | 35 Ų | 35 | 37.9 Ų | 37.9 | 21% | 0.212 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -83.8 | -49.6 | 176.5 | -178 | 0 | 0 | 0 | 0 | 111.9 | H138 P142 A242 L280 V285 | H138-V140 PolarHBondContact ND1-N 3.45Å; V140-P142 VanDerWaalsContact O-CD 3.26Å; V140-P142 WeakPolarHBondContact O-CD 3.4Å; V140-A242 HydrophobicContact CG2-CB 3.81Å; V140-L280 HydrophobicContact CG2-CD2 4.27Å; V140-V285 HydrophobicContact CG1-CG1 3.72Å; V140-V285 HydrophobicContact CG1-CG2 3.93Å |
| 141 | L | 89.3 | Confident | 93.1 | Very high | 69 Ų | 69 | 36.2 Ų | 36.2 | 36% | 0.361 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -78 | 107.1 | 175.7 | -55.5 | 176.8 | 0 | 0 | 0 | 110.5 | H138 H143 V144 | H138-L141 HydrophobicContact CB-CB 4.04Å; H138-L141 PolarHBondContact ND1-N 2.95Å; H138-L141 VanDerWaalsContact O-O 3.07Å; L141-H143 PolarHBondContact O-N 3.03Å; L141-H143 VanDerWaalsContact O-N 3.13Å; L141-V144 HydrophobicContact CB-CB 3.93Å; L141-V144 HydrophobicContact CB-CG2 3.73Å; L141-V144 HydrophobicContact CD1-CB 4.43Å; L141-V144 HydrophobicContact CD1-CG2 4.01Å; L141-V144 PolarHBondContact O-N 3.29Å |
| 142 | P | 87.9 | Confident | 92.9 | Very high | 47 Ų | 47 | 38.1 Ų | 38.1 | 31% | 0.305 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -20.3 | -165.7 | 26.8 | -36.4 | 0 | 0 | 0 | 114.5 | N60 H62 F63 V140 | N60-P142 PolarHBondContact ND2-O 2.86Å; H62-P142 WeakPolarHBondContact CB-O 3.49Å; H62-P142 WeakPolarHBondContact CD2-CB 3.48Å; H62-P142 WeakPolarHBondContact NE2-CB 3.35Å; F63-P142 WeakPolarHBondContact CE1-O 3.2Å; V140-P142 VanDerWaalsContact O-CD 3.26Å; V140-P142 WeakPolarHBondContact O-CD 3.4Å |
| 143 | H | 90.3 | Very high | 92.8 | Very high | 154 Ų | 154 | 34.4 Ų | 34.4 | 71% | 0.713 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -122.4 | 21 | -171.5 | -52.1 | -45.1 | 0 | 0 | 0 | 113.1 | L141 | L141-H143 PolarHBondContact O-N 3.03Å; L141-H143 VanDerWaalsContact O-N 3.13Å |
| 144 | V | 92.1 | Very high | 92.6 | Very high | 47 Ų | 47 | 36.4 Ų | 36.4 | 29% | 0.285 | 19% | 0.188 | S | C | . | . | trans | -111.6 | 118 | -178.6 | 176.5 | 0 | 0 | 0 | 0 | 110 | F63 H138 L141 M146 | F63-V144 WeakPolarHBondContact CZ-O 3.34Å; H138-V144 HydrophobicContact CB-CB 3.9Å; H138-V144 HydrophobicContact CB-CG1 4.14Å; H138-V144 VanDerWaalsContact CB-O 3.3Å; H138-V144 WeakPolarHBondContact CB-O 3.34Å; H138-V144 PolarHBondContact N-O 3.08Å; L141-V144 HydrophobicContact CB-CB 3.93Å; L141-V144 HydrophobicContact CB-CG2 3.73Å; L141-V144 HydrophobicContact CD1-CB 4.43Å; L141-V144 HydrophobicContact CD1-CG2 4.01Å; L141-V144 PolarHBondContact O-N 3.29Å; V144-M146 HydrophobicContact CG1-CG 3.92Å; V144-M146 HydrophobicContact CG1-SD 3.79Å | ||
| 145 | F | 94 | Very high | 92.2 | Very high | 52 Ų | 52 | 36.5 Ų | 36.5 | 23% | 0.228 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 137.5 | 166.4 | 170.2 | -118.9 | 0 | 0 | 0 | 109.2 | V58 F63 I65 L91 F135 Y136 E147 | V58-F145 HydrophobicContact CG2-CE2 4.24Å; F63-F145 HydrophobicContact CE2-CB 3.76Å; F63-F145 HydrophobicContact CE2-CD2 4.43Å; F63-F145 HydrophobicContact CE2-CG 4.42Å; F63-F145 HydrophobicContact CZ-CB 3.78Å; I65-F145 HydrophobicContact CD1-CB 4.3Å; I65-F145 HydrophobicContact CD1-CD1 3.78Å; I65-F145 HydrophobicContact CD1-CD2 3.34Å; I65-F145 HydrophobicContact CD1-CE1 3.85Å; I65-F145 HydrophobicContact CD1-CE2 3.42Å; I65-F145 VanDerWaalsContact CD1-CE2 3.42Å; I65-F145 HydrophobicContact CD1-CG 3.51Å; I65-F145 HydrophobicContact CD1-CZ 3.66Å; L91-F145 HydrophobicContact CD2-CE1 4.13Å; L91-F145 HydrophobicContact CD2-CZ 3.68Å; F135-F145 HydrophobicContact CB-CE2 4.42Å; F135-F145 HydrophobicContact CD1-CE2 4.46Å; F135-F145 AromaticContact CD1-CZ 3.98Å; F135-F145 HydrophobicContact CD1-CZ 3.98Å; Y136-F145 WeakPolarHBondContact O-CD2 3.27Å; F145-E147 HydrophobicContact CE1-CB 4.06Å; F145-E147 HydrophobicContact CZ-CB 4.1Å |
| 146 | M | 93.7 | Very high | 91.7 | Very high | 51 Ų | 51 | 46.7 Ų | 46.7 | 25% | 0.251 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 127.7 | -179.7 | -64.2 | -63.1 | -66.5 | 0 | 0 | 110.2 | F135 Y136 V144 | F135-M146 WeakPolarHBondContact CA-O 3.5Å; Y136-M146 HydrophobicContact CD1-CB 3.86Å; Y136-M146 HydrophobicContact CD2-CB 4.02Å; Y136-M146 HydrophobicContact CD2-CG 4.21Å; Y136-M146 HydrophobicContact CE1-CB 3.41Å; Y136-M146 VanDerWaalsContact CE1-CB 3.41Å; Y136-M146 HydrophobicContact CE1-CG 4.11Å; Y136-M146 HydrophobicContact CE2-CB 3.59Å; Y136-M146 HydrophobicContact CE2-CG 3.47Å; Y136-M146 VanDerWaalsContact CE2-CG 3.47Å; Y136-M146 HydrophobicContact CG-CB 4.14Å; Y136-M146 VanDerWaalsContact CZ-CG 3.41Å; Y136-M146 PolarHBondContact N-O 2.83Å; Y136-M146 PolarHBondContact O-N 3.22Å; Y136-M146 WeakPolarHBondContact OH-CG 3.3Å; V144-M146 HydrophobicContact CG1-CG 3.92Å; V144-M146 HydrophobicContact CG1-SD 3.79Å |
| 147 | E | 93 | Very high | 91.2 | Very high | 41 Ų | 41 | 50.8 Ų | 50.8 | 19% | 0.192 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 107.3 | 167.9 | 175.1 | 175.2 | -165.3 | 0 | 0 | 107.7 | L92 L134 F135 F145 I149 | L92-E147 PolarHBondContact N-OE1 2.98Å; L92-E147 PolarHBondContact N-OE2 3.16Å; L134-E147 WeakPolarHBondContact O-CA 3.29Å; F135-E147 HydrophobicContact CD1-CB 4.15Å; F135-E147 HydrophobicContact CD1-CG 3.96Å; F135-E147 HydrophobicContact CE1-CB 4.27Å; F135-E147 HydrophobicContact CE1-CG 3.6Å; F135-E147 WeakPolarHBondContact CE1-OE1 3.41Å; F145-E147 HydrophobicContact CE1-CB 4.06Å; F145-E147 HydrophobicContact CZ-CB 4.1Å; E147-I149 HydrophobicContact CG-CD1 4.31Å; E147-I149 HydrophobicContact CG-CG1 4.03Å |
| 148 | E | 91.9 | Very high | 90.9 | Very high | 82 Ų | 82 | 53.8 Ų | 53.8 | 38% | 0.383 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 117.6 | 176.9 | -175.1 | -175 | 159 | 0 | 0 | 109.8 | S133 L134 | S133-E148 CarbonylContact C-O 3.53Å; S133-E148 VanDerWaalsContact CA-O 3.27Å; S133-E148 WeakPolarHBondContact CA-O 3.38Å; L134-E148 HydrophobicContact CB-CB 4.34Å; L134-E148 PolarHBondContact N-O 2.82Å; L134-E148 PolarHBondContact O-N 3.31Å |
| 149 | I | 91.5 | Very high | 90.7 | Very high | 36 Ų | 36 | 54 Ų | 54 | 19% | 0.185 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 122.7 | -178.1 | -52.8 | 166.1 | 0 | 0 | 0 | 109.2 | L92 V94 V131 E147 F151 L163 | L92-I149 HydrophobicContact CB-CD1 4.04Å; L92-I149 HydrophobicContact CD1-CD1 3.89Å; V94-I149 HydrophobicContact CG2-CD1 3.75Å; V94-I149 HydrophobicContact CG2-CG1 4.44Å; V94-I149 HydrophobicContact CG2-CG2 4.03Å; V131-I149 HydrophobicContact CG1-CG2 3.96Å; E147-I149 HydrophobicContact CG-CD1 4.31Å; E147-I149 HydrophobicContact CG-CG1 4.03Å; I149-F151 HydrophobicContact CB-CE2 4.33Å; I149-F151 HydrophobicContact CB-CZ 4.5Å; I149-F151 HydrophobicContact CG2-CD2 4.32Å; I149-F151 HydrophobicContact CG2-CE1 4.08Å; I149-F151 HydrophobicContact CG2-CE2 3.59Å; I149-F151 HydrophobicContact CG2-CZ 3.44Å; I149-F151 VanDerWaalsContact CG2-CZ 3.44Å; I149-L163 HydrophobicContact CD1-CD2 4.24Å |
| 150 | S | 91.2 | Very high | 90.7 | Very high | 28 Ų | 28 | 55.1 Ų | 55.1 | 20% | 0.196 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 136.8 | 177.5 | 59.8 | 0 | 0 | 0 | 0 | 110.5 | V131 R132 | V131-S150 WeakPolarHBondContact CA-O 3.49Å; R132-S150 WeakPolarHBondContact CB-OG 3.3Å; R132-S150 PolarHBondContact N-O 3.42Å; R132-S150 PolarHBondContact O-N 2.77Å; R132-S150 PolarHBondContact O-OG 3.27Å; R132-S150 VanDerWaalsContact O-OG 3.06Å |
| 151 | F | 91.9 | Very high | 90.8 | Very high | 21 Ų | 21 | 53.5 Ų | 53.5 | 9% | 0.092 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 138.9 | -177.9 | -58.5 | -89.7 | 0 | 0 | 0 | 110 | V94 V131 I149 F161 L163 F215 V217 P223 | V94-F151 HydrophobicContact CG1-CE1 3.72Å; V94-F151 HydrophobicContact CG1-CZ 4.16Å; V131-F151 HydrophobicContact CG1-CD1 4.43Å; V131-F151 HydrophobicContact CG1-CE1 4.23Å; V131-F151 HydrophobicContact CG2-CD1 3.88Å; V131-F151 HydrophobicContact CG2-CE1 4.1Å; I149-F151 HydrophobicContact CB-CE2 4.33Å; I149-F151 HydrophobicContact CB-CZ 4.5Å; I149-F151 HydrophobicContact CG2-CD2 4.32Å; I149-F151 HydrophobicContact CG2-CE1 4.08Å; I149-F151 HydrophobicContact CG2-CE2 3.59Å; I149-F151 HydrophobicContact CG2-CZ 3.44Å; I149-F151 VanDerWaalsContact CG2-CZ 3.44Å; F151-F161 HydrophobicContact CD1-CD1 4.16Å; F151-F161 AromaticContact CD1-CD2 3.7Å; F151-F161 HydrophobicContact CD1-CD2 3.7Å; F151-F161 HydrophobicContact CD1-CE1 4.03Å; F151-F161 AromaticContact CD1-CE2 3.55Å; F151-F161 HydrophobicContact CD1-CE2 3.55Å; F151-F161 AromaticContact CD1-CG 3.98Å; F151-F161 HydrophobicContact CD1-CG 3.98Å; F151-F161 AromaticContact CD1-CZ 3.7Å; F151-F161 HydrophobicContact CD1-CZ 3.7Å; F151-F161 HydrophobicContact CE1-CB 4.05Å; F151-F161 AromaticContact CE1-CD1 3.79Å; F151-F161 HydrophobicContact CE1-CD1 3.79Å; F151-F161 AromaticContact CE1-CD2 3.74Å; F151-F161 HydrophobicContact CE1-CD2 3.74Å; F151-F161 HydrophobicContact CE1-CE1 4.08Å; F151-F161 HydrophobicContact CE1-CE2 4.05Å; F151-F161 AromaticContact CE1-CG 3.57Å; F151-F161 HydrophobicContact CE1-CG 3.57Å; F151-F161 HydrophobicContact CE1-CZ 4.18Å; F151-F161 HydrophobicContact CG-CE2 4.41Å; F151-F161 HydrophobicContact CZ-CG 4.49Å; F151-L163 HydrophobicContact CZ-CD1 4.22Å; F151-L163 HydrophobicContact CZ-CD2 4.41Å; F151-F215 AromaticContact CD2-CD1 3.83Å; F151-F215 HydrophobicContact CD2-CD1 3.83Å; F151-F215 AromaticContact CD2-CE1 3.69Å; F151-F215 HydrophobicContact CD2-CE1 3.69Å; F151-F215 AromaticContact CE2-CD1 3.66Å; F151-F215 HydrophobicContact CE2-CD1 3.66Å; F151-F215 AromaticContact CE2-CE1 3.88Å; F151-F215 HydrophobicContact CE2-CE1 3.88Å; F151-F215 HydrophobicContact CE2-CG 4.45Å; F151-F215 HydrophobicContact CG-CD1 4.47Å; F151-F215 HydrophobicContact CG-CE1 4.48Å; F151-F215 HydrophobicContact CZ-CD1 4.19Å; F151-V217 HydrophobicContact CB-CB 4.49Å; F151-V217 HydrophobicContact CB-CG1 4.07Å; F151-V217 HydrophobicContact CB-CG2 3.67Å; F151-V217 HydrophobicContact CD1-CG2 4.16Å; F151-V217 HydrophobicContact CD2-CG2 4.29Å; F151-V217 HydrophobicContact CG-CG2 3.8Å; F151-P223 WeakPolarHBondContact O-CD 3.31Å |
| 152 | H | 91 | Very high | 90.8 | Very high | 41 Ų | 41 | 51.5 Ų | 51.5 | 19% | 0.19 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 116.4 | 170.7 | 177.3 | 87.8 | 0 | 0 | 0 | 109.5 | R130 P154 | R130-H152 HydrophobicContact CB-CB 4.24Å; R130-H152 PolarHBondContact N-O 2.96Å; R130-H152 PolarHBondContact NE-CD2 3.02Å; R130-H152 VanDerWaalsContact NE-CD2 3.28Å; R130-H152 PolarHBondContact NH2-CD2 3.35Å; R130-H152 PolarHBondContact NH2-CE1 2.94Å; R130-H152 VanDerWaalsContact NH2-CE1 3.31Å; R130-H152 PolarHBondContact NH2-ND1 2.73Å; R130-H152 PolarHBondContact NH2-NE2 2.91Å; R130-H152 PolarHBondContact O-N 3.31Å; H152-P154 WeakPolarHBondContact O-CD 3.47Å |
| 153 | N | 91.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | trans | -114.4 | 96.7 | -178.8 | -179.8 | 13.7 | 0 | 0 | 0 | 110.3 | T155 E157 A159 V217 G220 K221 | N153-T155 VanDerWaalsContact C-N 3.26Å; N153-T155 PolarHBondContact O-N 2.94Å; N153-T155 WeakPolarHBondContact OD1-CB 2.93Å; N153-T155 VanDerWaalsContact OD1-CG2 3.31Å; N153-T155 WeakPolarHBondContact OD1-CG2 3.3Å; N153-T155 PolarHBondContact OD1-N 3.17Å; N153-T155 VanDerWaalsContact OD1-N 3.09Å; N153-T155 PolarHBondContact OD1-OG1 3.37Å; N153-E157 PolarHBondContact ND2-O 3.16Å; N153-A159 HydrophobicContact CB-CB 4.41Å; N153-A159 PolarHBondContact ND2-N 2.89Å; N153-V217 HydrophobicContact CB-CB 4.29Å; N153-V217 HydrophobicContact CB-CG1 3.68Å; N153-V217 PolarHBondContact ND2-O 2.89Å; N153-G220 PolarHBondContact O-N 3.01Å; N153-K221 PolarHBondContact N-O 3.13Å | ||
| 154 | P | 89.5 | Confident | 90.5 | Very high | 43 Ų | 43 | 45.8 Ų | 45.8 | 28% | 0.279 | 23% | 0.231 | S | C | . | . | trans | -84.6 | 2 | 177.4 | 34.1 | -32.2 | 0 | 0 | 0 | 113.3 | H127 C128 H152 | H127-P154 HydrophobicContact CB-CG 4.44Å; C128-P154 WeakPolarHBondContact O-CD 3.34Å; C128-P154 WeakPolarHBondContact O-CG 3.49Å; H152-P154 WeakPolarHBondContact O-CD 3.47Å | ||
| 155 | T | 88.3 | Confident | 89.8 | Confident | 5 Ų | 5 | 46.1 Ų | 46.1 | 3% | 0.031 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -76.7 | 169.9 | -179.2 | 76.5 | 0 | 0 | 0 | 0 | 111.2 | F124 H127 I129 N153 E157 P219 | F124-T155 HydrophobicContact CD1-CG2 3.73Å; F124-T155 HydrophobicContact CE1-CG2 4.37Å; H127-T155 HydrophobicContact CB-CG2 3.9Å; I129-T155 HydrophobicContact CD1-CG2 3.9Å; I129-T155 HydrophobicContact CG1-CG2 3.68Å; N153-T155 VanDerWaalsContact C-N 3.26Å; N153-T155 PolarHBondContact O-N 2.94Å; N153-T155 WeakPolarHBondContact OD1-CB 2.93Å; N153-T155 VanDerWaalsContact OD1-CG2 3.31Å; N153-T155 WeakPolarHBondContact OD1-CG2 3.3Å; N153-T155 PolarHBondContact OD1-N 3.17Å; N153-T155 VanDerWaalsContact OD1-N 3.09Å; N153-T155 PolarHBondContact OD1-OG1 3.37Å; T155-E157 VanDerWaalsContact C-N 3.3Å; T155-E157 PolarHBondContact OG1-N 2.04Å; T155-E157 PolarHBondContact OG1-O 2.88Å; T155-P219 WeakPolarHBondContact O-CA 3.37Å; T155-P219 VanDerWaalsContact O-CB 3.26Å; T155-P219 WeakPolarHBondContact O-CB 3.44Å |
| 156 | R | 87.9 | Confident | 88.3 | Confident | 221 Ų | 221 | 48 Ų | 48 | 83% | 0.834 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -83.8 | -3.5 | 172.9 | -63.1 | -179.3 | -178.4 | 173.2 | 1.1 | 113.5 | P219 | R156-P219 VanDerWaalsContact C-CG 3.43Å; R156-P219 WeakPolarHBondContact O-CG 3.49Å |
| 157 | E | 87.8 | Confident | 86.9 | Confident | 89 Ų | 89 | 47.1 Ų | 47.1 | 42% | 0.416 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -118.6 | 161.2 | -175.1 | -62.1 | -167.2 | 177 | 0 | 0 | 112.7 | R98 N153 T155 A159 | R98-E157 IonicContact CZ-OE2 3.53Å; R98-E157 IonicContact NH1-OE2 2.69Å; R98-E157 PolarHBondContact NH1-OE2 3.18Å; R98-E157 IonicContact NH2-OE2 3.64Å; N153-E157 PolarHBondContact ND2-O 3.16Å; T155-E157 VanDerWaalsContact C-N 3.3Å; T155-E157 PolarHBondContact OG1-N 2.04Å; T155-E157 PolarHBondContact OG1-O 2.88Å; E157-A159 PolarHBondContact O-N 3.12Å |
| 158 | V | 90.3 | Very high | 85.3 | Confident | 64 Ų | 64 | 51.5 Ų | 51.5 | 39% | 0.388 | 25% | 0.253 | S | S | . | . | P | Polyproline II helix | trans | -72.4 | 123.3 | 174.5 | 178.8 | 0 | 0 | 0 | 0 | 109.5 | N216 | V158-N216 HydrophobicContact CG1-CB 3.86Š|
| 159 | A | 90 | Very high | 83.9 | Confident | 3 Ų | 3 | 49.1 Ų | 49.1 | 3% | 0.025 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 120.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | L96 I129 N153 E157 F161 V217 | L96-A159 HydrophobicContact CD1-CB 4.29Å; I129-A159 HydrophobicContact CD1-CB 3.98Å; N153-A159 HydrophobicContact CB-CB 4.41Å; N153-A159 PolarHBondContact ND2-N 2.89Å; E157-A159 PolarHBondContact O-N 3.12Å; A159-F161 HydrophobicContact CB-CE2 3.77Å; A159-F161 HydrophobicContact CB-CZ 4.32Å; A159-V217 PolarHBondContact N-O 3.16Å; A159-V217 PolarHBondContact O-N 2.91Å |
| 160 | S | 91.1 | Very high | 82.9 | Confident | 29 Ų | 29 | 50.7 Ų | 50.7 | 20% | 0.203 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 122.4 | 178.6 | -63.2 | 0 | 0 | 0 | 0 | 110.8 | K97 N216 | K97-S160 WeakPolarHBondContact CB-O 3.47Å; K97-S160 PolarHBondContact N-O 3.13Å; S160-N216 VanDerWaalsContact CB-OD1 3.31Å; S160-N216 WeakPolarHBondContact CB-OD1 3.37Å; S160-N216 PolarHBondContact OG-OD1 3.06Å |
| 161 | F | 91.8 | Very high | 81.5 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 139.8 | 177.1 | -63.1 | -92.6 | 0 | 0 | 0 | 110.3 | V94 A95 L96 I129 V131 F151 A159 L163 T214 F215 V217 | V94-F161 HydrophobicContact CG1-CB 4.4Å; V94-F161 HydrophobicContact CG1-CD1 3.83Å; V94-F161 HydrophobicContact CG1-CG 4.43Å; A95-F161 CarbonylContact O-C 3.52Å; A95-F161 VanDerWaalsContact O-CA 3.31Å; A95-F161 WeakPolarHBondContact O-CA 3.22Å; L96-F161 HydrophobicContact CB-CD1 4.27Å; L96-F161 HydrophobicContact CB-CE1 4.17Å; L96-F161 HydrophobicContact CD1-CD1 4.16Å; L96-F161 HydrophobicContact CD1-CE1 3.85Å; L96-F161 HydrophobicContact CD1-CE2 4.38Å; L96-F161 HydrophobicContact CD1-CZ 3.99Å; I129-F161 HydrophobicContact CG2-CE1 4.43Å; I129-F161 HydrophobicContact CG2-CE2 4.46Å; I129-F161 HydrophobicContact CG2-CZ 3.6Å; V131-F161 HydrophobicContact CG2-CD1 4.27Å; V131-F161 HydrophobicContact CG2-CE1 3.5Å; V131-F161 VanDerWaalsContact CG2-CE1 3.5Å; V131-F161 HydrophobicContact CG2-CZ 3.95Å; F151-F161 HydrophobicContact CD1-CD1 4.16Å; F151-F161 AromaticContact CD1-CD2 3.7Å; F151-F161 HydrophobicContact CD1-CD2 3.7Å; F151-F161 HydrophobicContact CD1-CE1 4.03Å; F151-F161 AromaticContact CD1-CE2 3.55Å; F151-F161 HydrophobicContact CD1-CE2 3.55Å; F151-F161 AromaticContact CD1-CG 3.98Å; F151-F161 HydrophobicContact CD1-CG 3.98Å; F151-F161 AromaticContact CD1-CZ 3.7Å; F151-F161 HydrophobicContact CD1-CZ 3.7Å; F151-F161 HydrophobicContact CE1-CB 4.05Å; F151-F161 AromaticContact CE1-CD1 3.79Å; F151-F161 HydrophobicContact CE1-CD1 3.79Å; F151-F161 AromaticContact CE1-CD2 3.74Å; F151-F161 HydrophobicContact CE1-CD2 3.74Å; F151-F161 HydrophobicContact CE1-CE1 4.08Å; F151-F161 HydrophobicContact CE1-CE2 4.05Å; F151-F161 AromaticContact CE1-CG 3.57Å; F151-F161 HydrophobicContact CE1-CG 3.57Å; F151-F161 HydrophobicContact CE1-CZ 4.18Å; F151-F161 HydrophobicContact CG-CE2 4.41Å; F151-F161 HydrophobicContact CZ-CG 4.49Å; A159-F161 HydrophobicContact CB-CE2 3.77Å; A159-F161 HydrophobicContact CB-CZ 4.32Å; F161-L163 HydrophobicContact CB-CD1 3.87Å; F161-T214 CarbonylContact O-C 3.53Å; F161-T214 VanDerWaalsContact O-CA 3.27Å; F161-T214 WeakPolarHBondContact O-CA 3.26Å; F161-F215 PolarHBondContact N-O 3.31Å; F161-F215 PolarHBondContact O-N 3.39Å; F161-V217 HydrophobicContact CD2-CG2 3.79Å; F161-V217 HydrophobicContact CE2-CB 4.25Å; F161-V217 HydrophobicContact CE2-CG2 3.68Å |
| 162 | S | 90.4 | Very high | 80.5 | Confident | 27 Ų | 27 | 63.7 Ų | 63.7 | 19% | 0.189 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 130.5 | 161.5 | 58.8 | 0 | 0 | 0 | 0 | 109.1 | A95 S213 | A95-S162 WeakPolarHBondContact CB-OG 3.49Å; A95-S162 PolarHBondContact N-O 2.89Å; A95-S162 PolarHBondContact O-N 2.85Å; A95-S162 PolarHBondContact O-OG 2.81Å; S162-S213 WeakPolarHBondContact CA-O 3.25Å |
| 163 | L | 88 | Confident | 79.9 | Confident | 21 Ų | 21 | 66.7 Ų | 66.7 | 11% | 0.11 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 103.4 | 171.3 | -73.5 | 75.6 | 0 | 0 | 0 | 107 | I149 F151 F161 S213 F215 | I149-L163 HydrophobicContact CD1-CD2 4.24Å; F151-L163 HydrophobicContact CZ-CD1 4.22Å; F151-L163 HydrophobicContact CZ-CD2 4.41Å; F161-L163 HydrophobicContact CB-CD1 3.87Å; L163-S213 PolarHBondContact N-O 3.4Å; L163-S213 WeakPolarHBondContact O-CA 3.36Å; L163-F215 HydrophobicContact CD1-CB 3.47Å; L163-F215 VanDerWaalsContact CD1-CB 3.47Å |
| 164 | V | 83.3 | Confident | 79.4 | Confident | 61 Ų | 61 | 67 Ų | 67 | 37% | 0.37 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 139.9 | -176.4 | -169.2 | 0 | 0 | 0 | 0 | 108.9 | K93 Q166 | K93-V164 WeakPolarHBondContact CA-O 3.48Å; K93-V164 WeakPolarHBondContact CB-O 3.2Å; K93-V164 PolarHBondContact N-O 2.85Å; K93-V164 PolarHBondContact O-N 3.2Å; K93-V164 VanDerWaalsContact O-N 3.14Å; V164-Q166 PolarHBondContact O-N 2.84Å |
| 165 | R | 77.9 | Confident | 79.1 | Confident | 54 Ų | 54 | 70 Ų | 70 | 20% | 0.204 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 122.1 | 168.5 | -65.8 | -179.4 | -170.6 | 140.6 | 10.9 | 108.3 | L92 D167 S208 Q209 | L92-R165 HydrophobicContact CD2-CG 3.9Å; R165-D167 VanDerWaalsContact C-N 3.32Å; R165-D167 PolarHBondContact O-N 3.33Å; R165-S208 PolarHBondContact NH1-OG 3.43Å; R165-S208 PolarHBondContact NH2-OG 3.14Å; R165-Q209 PolarHBondContact NH2-O 2.95Å |
| 166 | Q | 63.1 | Low | 78.8 | Confident | 90 Ų | 90 | 76.5 Ų | 76.5 | 42% | 0.421 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -62.4 | -36.7 | -167.4 | 179.5 | 167.4 | -19.4 | 0 | 0 | 113.6 | K93 V164 H168 | K93-Q166 HydrophobicContact CB-CB 4.31Å; K93-Q166 HydrophobicContact CD-CB 4.24Å; K93-Q166 HydrophobicContact CD-CG 4.24Å; V164-Q166 PolarHBondContact O-N 2.84Å; Q166-H168 PolarHBondContact O-N 3.41Å; Q166-H168 VanDerWaalsContact O-N 3.12Å |
| 167 | D | 63.7 | Low | 78.6 | Confident | 34 Ų | 34 | 66.6 Ų | 66.6 | 18% | 0.182 | 32% | 0.316 | C | S | . | . | trans | -83.5 | 89.9 | -176 | -177.7 | 15.6 | 0 | 0 | 0 | 111 | N89 R165 S169 W170 | N89-D167 HydrophobicContact CB-CB 4.21Å; R165-D167 VanDerWaalsContact C-N 3.32Å; R165-D167 PolarHBondContact O-N 3.33Å; D167-S169 PolarHBondContact O-N 3.46Å; D167-S169 VanDerWaalsContact O-N 3.07Å; D167-S169 VanDerWaalsContact OD1-CA 3.29Å; D167-S169 WeakPolarHBondContact OD1-CA 3.1Å; D167-S169 WeakPolarHBondContact OD1-CB 3.15Å; D167-S169 PolarHBondContact OD1-N 3.41Å; D167-S169 PolarHBondContact OD1-OG 3.11Å; D167-S169 PolarHBondContact OD2-OG 3.27Å; D167-W170 VanDerWaalsContact O-CB 3.3Å; D167-W170 WeakPolarHBondContact O-CB 3.29Å; D167-W170 PolarHBondContact O-N 3.39Å | ||
| 168 | H | 59.4 | Low | 78.2 | Confident | 133 Ų | 133 | 69.4 Ų | 69.4 | 62% | 0.616 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -25.1 | 169.6 | -74.5 | -74.3 | 0 | 0 | 0 | 112.3 | Q166 W170 Y171 | Q166-H168 PolarHBondContact O-N 3.41Å; Q166-H168 VanDerWaalsContact O-N 3.12Å; H168-W170 PolarHBondContact O-N 3.37Å; H168-W170 VanDerWaalsContact O-N 3.09Å; H168-Y171 WeakPolarHBondContact O-CD1 3.46Å; H168-Y171 WeakPolarHBondContact O-CE1 3.48Å |
| 169 | S | 63 | Low | 77.7 | Confident | 31 Ų | 31 | 70.4 Ų | 70.4 | 22% | 0.217 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -4.6 | 178 | 87 | 0 | 0 | 0 | 0 | 114.2 | D167 Y171 R172 R173 | D167-S169 PolarHBondContact O-N 3.46Å; D167-S169 VanDerWaalsContact O-N 3.07Å; D167-S169 VanDerWaalsContact OD1-CA 3.29Å; D167-S169 WeakPolarHBondContact OD1-CA 3.1Å; D167-S169 WeakPolarHBondContact OD1-CB 3.15Å; D167-S169 PolarHBondContact OD1-N 3.41Å; D167-S169 PolarHBondContact OD1-OG 3.11Å; D167-S169 PolarHBondContact OD2-OG 3.27Å; S169-Y171 PolarHBondContact O-N 3.34Å; S169-Y171 VanDerWaalsContact O-N 3.14Å; S169-R172 WeakPolarHBondContact O-CB 3.36Å; S169-R172 PolarHBondContact O-N 3.29Å; S169-R173 PolarHBondContact OG-NH2 3.14Å |
| 170 | W | 69.4 | Low | 77 | Confident | 70 Ų | 70 | 73.9 Ų | 73.9 | 27% | 0.265 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -51.8 | -36.3 | 176 | 80.6 | -95.9 | 0 | 0 | 0 | 112.5 | D167 H168 R172 R173 L174 Y191 | D167-W170 VanDerWaalsContact O-CB 3.3Å; D167-W170 WeakPolarHBondContact O-CB 3.29Å; D167-W170 PolarHBondContact O-N 3.39Å; H168-W170 PolarHBondContact O-N 3.37Å; H168-W170 VanDerWaalsContact O-N 3.09Å; W170-R172 PolarHBondContact O-N 2.64Å; W170-R173 PolarHBondContact O-N 3.45Å; W170-R173 VanDerWaalsContact O-N 3.07Å; W170-L174 HydrophobicContact CE3-CB 4.06Å; W170-L174 HydrophobicContact CE3-CD1 3.99Å; W170-L174 HydrophobicContact CZ3-CB 4.37Å; W170-L174 WeakPolarHBondContact O-CB 3.24Å; W170-L174 PolarHBondContact O-N 2.79Å; W170-Y191 HydrophobicContact CE3-CE1 4.42Å; W170-Y191 HydrophobicContact CH2-CD1 4.15Å; W170-Y191 AromaticContact CH2-CE1 3.31Å; W170-Y191 HydrophobicContact CH2-CE1 3.31Å; W170-Y191 HydrophobicContact CH2-CE2 4.41Å; W170-Y191 AromaticContact CH2-CZ 3.45Å; W170-Y191 VanDerWaalsContact CH2-CZ 3.45Å; W170-Y191 WeakPolarHBondContact CH2-OH 3.44Å; W170-Y191 AromaticContact CZ3-CD1 3.51Å; W170-Y191 HydrophobicContact CZ3-CD1 3.51Å; W170-Y191 AromaticContact CZ3-CE1 3.16Å; W170-Y191 HydrophobicContact CZ3-CE1 3.16Å; W170-Y191 HydrophobicContact CZ3-CE2 4.27Å; W170-Y191 HydrophobicContact CZ3-CG 4.21Å; W170-Y191 AromaticContact CZ3-CZ 3.56Å |
| 171 | Y | 62.4 | Low | 75.9 | Confident | 133 Ų | 133 | 77.8 Ų | 77.8 | 52% | 0.522 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64.7 | -18.8 | 176.6 | 68.3 | -104.3 | 0 | 0 | 0 | 114.1 | H168 S169 | H168-Y171 WeakPolarHBondContact O-CD1 3.46Å; H168-Y171 WeakPolarHBondContact O-CE1 3.48Å; S169-Y171 PolarHBondContact O-N 3.34Å; S169-Y171 VanDerWaalsContact O-N 3.14Å |
| 172 | R | 71.2 | Confident | 75 | Confident | 189 Ų | 189 | 86.7 Ų | 86.7 | 71% | 0.713 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -86.6 | -19.5 | 176 | -57.6 | -172.4 | -177.9 | -168.7 | -3.2 | 112.5 | S169 W170 | S169-R172 WeakPolarHBondContact O-CB 3.36Å; S169-R172 PolarHBondContact O-N 3.29Å; W170-R172 PolarHBondContact O-N 2.64Å |
| 173 | R | 77.2 | Confident | 74.3 | Confident | 104 Ų | 104 | 92.3 Ų | 92.3 | 39% | 0.392 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -107.3 | -21.3 | -174.3 | -56.6 | -174.7 | -163.1 | -157.1 | 10.9 | 112.9 | G87 I88 S169 W170 | G87-R173 PolarHBondContact O-NH1 3.24Å; I88-R173 HydrophobicContact CG1-CB 4.5Å; S169-R173 PolarHBondContact OG-NH2 3.14Å; W170-R173 PolarHBondContact O-N 3.45Å; W170-R173 VanDerWaalsContact O-N 3.07Å |
| 174 | L | 81.6 | Confident | 73.9 | Confident | 6 Ų | 6 | 92.6 Ų | 92.6 | 3% | 0.031 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 135 | -178.8 | -69.3 | -179.7 | 0 | 0 | 0 | 110.5 | I88 W170 Y191 D192 F204 M206 | I88-L174 HydrophobicContact CD1-CD1 3.8Å; I88-L174 HydrophobicContact CD1-CD2 3.47Å; I88-L174 VanDerWaalsContact CD1-CD2 3.47Å; I88-L174 HydrophobicContact CD1-CG 3.56Å; I88-L174 HydrophobicContact CG2-CD1 4.5Å; W170-L174 HydrophobicContact CE3-CB 4.06Å; W170-L174 HydrophobicContact CE3-CD1 3.99Å; W170-L174 HydrophobicContact CZ3-CB 4.37Å; W170-L174 WeakPolarHBondContact O-CB 3.24Å; W170-L174 PolarHBondContact O-N 2.79Å; L174-Y191 HydrophobicContact CB-CD1 4.44Å; L174-Y191 HydrophobicContact CD1-CG 4.34Å; L174-D192 CarbonylContact C-O 3.57Å; L174-D192 WeakPolarHBondContact CA-O 3.42Å; L174-F204 HydrophobicContact CD2-CE2 4.1Å; L174-F204 HydrophobicContact CD2-CZ 4.22Å; L174-M206 HydrophobicContact CD1-CE 3.6Å |
| 175 | V | 83.8 | Confident | 73.8 | Confident | 107 Ų | 107 | 93.1 Ų | 93.1 | 65% | 0.648 | 46% | 0.456 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 132.6 | 169.8 | -177.8 | 0 | 0 | 0 | 0 | 108.1 | A177 Y191 D192 | V175-A177 PolarHBondContact O-N 3.25Å; V175-A177 VanDerWaalsContact O-N 3.13Å; V175-Y191 CarbonylContact O-C 3.58Å; V175-Y191 VanDerWaalsContact O-CA 3.28Å; V175-Y191 WeakPolarHBondContact O-CA 3.41Å; V175-D192 PolarHBondContact N-O 2.9Å; V175-D192 PolarHBondContact O-N 3.04Å |
| 176 | K | 82.3 | Confident | 74 | Confident | 140 Ų | 140 | 99.4 Ų | 99.4 | 61% | 0.609 | 49% | 0.492 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 118.3 | 172.1 | -173.3 | 177.7 | -178.8 | 174.4 | 0 | 108.6 | T189 Y191 | K176-T189 HydrophobicContact CD-CG2 4.18Å; K176-T189 HydrophobicContact CG-CG2 4Å; K176-Y191 HydrophobicContact CB-CD1 4.15Å; K176-Y191 HydrophobicContact CB-CE1 3.97Å; K176-Y191 HydrophobicContact CG-CE1 4.13Å |
| 177 | A | 81.9 | Confident | 75 | Confident | 14 Ų | 14 | 96.8 Ų | 96.8 | 12% | 0.116 | 49% | 0.49 | C | S | . | . | P | Polyproline II helix | trans | -76.9 | 137.5 | -176 | 0 | 0 | 0 | 0 | 0 | 110.5 | V175 Y179 A190 D192 | V175-A177 PolarHBondContact O-N 3.25Å; V175-A177 VanDerWaalsContact O-N 3.13Å; A177-Y179 HydrophobicContact CB-CD2 3.49Å; A177-Y179 VanDerWaalsContact CB-CD2 3.49Å; A177-Y179 HydrophobicContact CB-CE2 3.13Å; A177-Y179 HydrophobicContact CB-CG 4.4Å; A177-Y179 PolarHBondContact O-N 3.04Å; A177-A190 HydrophobicContact CB-CB 4.14Å; A177-A190 PolarHBondContact N-O 3.39Å; A177-D192 VanDerWaalsContact CB-OD2 3.25Å; A177-D192 WeakPolarHBondContact CB-OD2 3.48Å |
| 178 | V | 80.2 | Confident | 76.1 | Confident | 147 Ų | 147 | 98.8 Ų | 98.8 | 89% | 0.891 | 50% | 0.499 | S | S | * | . | trans | -99.7 | 82.3 | 175.4 | -174 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 179 | Y | 79.3 | Confident | 77.4 | Confident | 85 Ų | 85 | 93.2 Ų | 93.2 | 33% | 0.333 | 47% | 0.474 | S | S | . | . | trans | -97.3 | 151.7 | 175 | -67.2 | -57.8 | 0 | 0 | 0 | 111.6 | A177 V184 A190 D192 T205 | A177-Y179 HydrophobicContact CB-CD2 3.49Å; A177-Y179 VanDerWaalsContact CB-CD2 3.49Å; A177-Y179 HydrophobicContact CB-CE2 3.13Å; A177-Y179 HydrophobicContact CB-CG 4.4Å; A177-Y179 PolarHBondContact O-N 3.04Å; Y179-V184 HydrophobicContact CD2-CG2 4.17Å; Y179-V184 HydrophobicContact CG-CG2 4.46Å; Y179-A190 HydrophobicContact CD2-CB 3.7Å; Y179-A190 HydrophobicContact CE2-CB 3.95Å; Y179-D192 VanDerWaalsContact OH-CG 3.25Å; Y179-D192 PolarHBondContact OH-OD1 2.93Å; Y179-D192 PolarHBondContact OH-OD2 2.94Å; Y179-D192 VanDerWaalsContact OH-OD2 3.1Å; Y179-T205 HydrophobicContact CE2-CG2 3.84Å; Y179-T205 PolarHBondContact OH-OG1 2.75Å | ||
| 180 | P | 76.7 | Confident | 78.6 | Confident | 76 Ų | 76 | 91.9 Ų | 91.9 | 49% | 0.494 | 47% | 0.465 | S | S | . | . | trans | -53.9 | 142.6 | 168.2 | -23.6 | 33.1 | 0 | 0 | 0 | 111.3 | Q182 K183 | P180-Q182 PolarHBondContact O-N 2.97Å; P180-K183 PolarHBondContact O-N 2.79Å | ||
| 181 | S | 67.3 | Low | 79.5 | Confident | 111 Ų | 111 | 89.7 Ų | 89.7 | 78% | 0.776 | 46% | 0.457 | S | S | * | . | G | 310 helix | trans | -55.5 | -26.2 | -177 | 59.4 | 0 | 0 | 0 | 0 | 114 | K183 | S181-K183 VanDerWaalsContact C-N 3.25Å; S181-K183 PolarHBondContact O-N 3.3Å |
| 182 | Q | 73.3 | Confident | 80.8 | Confident | 187 Ų | 187 | 85.9 Ų | 85.9 | 87% | 0.874 | 45% | 0.445 | S | S | * | . | G | 310 helix | trans | -67.2 | -21.8 | 176.4 | -67.2 | 165.8 | -9.9 | 0 | 0 | 113.7 | P180 | P180-Q182 PolarHBondContact O-N 2.97Š|
| 183 | K | 76 | Confident | 81.7 | Confident | 145 Ų | 145 | 77.2 Ų | 77.2 | 63% | 0.63 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -93.7 | -18 | -178.6 | -66.6 | -169.4 | 179.1 | -177.1 | 0 | 113.7 | P180 S181 | P180-K183 PolarHBondContact O-N 2.79Å; S181-K183 VanDerWaalsContact C-N 3.25Å; S181-K183 PolarHBondContact O-N 3.3Å |
| 184 | V | 78.6 | Confident | 82.3 | Confident | 28 Ų | 28 | 77.7 Ų | 77.7 | 17% | 0.17 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -118.9 | 111.5 | -177.4 | -175.4 | 0 | 0 | 0 | 0 | 108.4 | Y179 M188 A190 | Y179-V184 HydrophobicContact CD2-CG2 4.17Å; Y179-V184 HydrophobicContact CG-CG2 4.46Å; V184-M188 HydrophobicContact CG1-CB 4.19Å; V184-M188 VanDerWaalsContact CG1-O 3.24Å; V184-M188 WeakPolarHBondContact CG1-O 3.4Å; V184-A190 HydrophobicContact CG2-CB 3.95Å |
| 185 | P | 81.7 | Confident | 82.7 | Confident | 72 Ų | 72 | 77.5 Ų | 77.5 | 47% | 0.468 | 42% | 0.42 | S | S | . | . | trans | -54.8 | 148.6 | 177.2 | -25.6 | 34.6 | 0 | 0 | 0 | 112.5 | G187 M188 | P185-G187 PolarHBondContact O-N 2.82Å; P185-M188 HydrophobicContact CB-CG 4.36Å; P185-M188 HydrophobicContact CB-SD 4.14Å; P185-M188 HydrophobicContact CG-SD 4.06Å; P185-M188 PolarHBondContact O-N 3.31Å; P185-M188 VanDerWaalsContact O-N 3.14Å | ||
| 186 | L | 82.1 | Confident | 82.8 | Confident | 186 Ų | 186 | 77.8 Ų | 77.8 | 97% | 0.974 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | 132.4 | 176.7 | -173.3 | 70.9 | 0 | 0 | 0 | 110.7 | ||
| 187 | G | 84.2 | Confident | 83 | Confident | 35 Ų | 35 | 72.3 Ų | 72.3 | 36% | 0.361 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.6 | 14.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | P185 D210 | P185-G187 PolarHBondContact O-N 2.82Å; G187-D210 PolarHBondContact O-N 3.4Å |
| 188 | M | 86.5 | Confident | 83.2 | Confident | 76 Ų | 76 | 78.4 Ų | 78.4 | 37% | 0.374 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 149.3 | 169.3 | -62.9 | -168.1 | 171.9 | 0 | 0 | 110.9 | V184 P185 S208 | V184-M188 HydrophobicContact CG1-CB 4.19Å; V184-M188 VanDerWaalsContact CG1-O 3.24Å; V184-M188 WeakPolarHBondContact CG1-O 3.4Å; P185-M188 HydrophobicContact CB-CG 4.36Å; P185-M188 HydrophobicContact CB-SD 4.14Å; P185-M188 HydrophobicContact CG-SD 4.06Å; P185-M188 PolarHBondContact O-N 3.31Å; P185-M188 VanDerWaalsContact O-N 3.14Å; M188-S208 WeakPolarHBondContact CA-O 3.42Å |
| 189 | T | 86.1 | Confident | 83.4 | Confident | 16 Ų | 16 | 75.6 Ų | 75.6 | 10% | 0.098 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 132.7 | 169.9 | -58.9 | 0 | 0 | 0 | 0 | 110.3 | K176 Y191 S208 D210 | K176-T189 HydrophobicContact CD-CG2 4.18Å; K176-T189 HydrophobicContact CG-CG2 4Å; T189-Y191 HydrophobicContact CG2-CD2 4.3Å; T189-Y191 HydrophobicContact CG2-CE1 3.9Å; T189-Y191 HydrophobicContact CG2-CE2 3.55Å; T189-Y191 VanDerWaalsContact CG2-OH 3.31Å; T189-Y191 WeakPolarHBondContact CG2-OH 3.41Å; T189-S208 PolarHBondContact N-O 2.87Å; T189-S208 PolarHBondContact O-N 2.94Å; T189-D210 PolarHBondContact OG1-OD1 3.36Å |
| 190 | A | 88.5 | Confident | 83.7 | Confident | 3 Ų | 3 | 73 Ų | 73 | 3% | 0.025 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 143.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | A177 Y179 V184 M206 M207 | A177-A190 HydrophobicContact CB-CB 4.14Å; A177-A190 PolarHBondContact N-O 3.39Å; Y179-A190 HydrophobicContact CD2-CB 3.7Å; Y179-A190 HydrophobicContact CE2-CB 3.95Å; V184-A190 HydrophobicContact CG2-CB 3.95Å; A190-M206 CarbonylContact C-O 3.54Å; A190-M206 WeakPolarHBondContact CA-O 3.46Å; A190-M207 HydrophobicContact CB-CG 3.91Å |
| 191 | Y | 88.5 | Confident | 84.2 | Confident | 23 Ų | 23 | 73 Ų | 73 | 9% | 0.09 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 135.4 | -178.9 | -63 | -77.5 | 0 | 0 | 0 | 110.6 | W170 L174 V175 K176 T189 T205 M206 | W170-Y191 HydrophobicContact CE3-CE1 4.42Å; W170-Y191 HydrophobicContact CH2-CD1 4.15Å; W170-Y191 AromaticContact CH2-CE1 3.31Å; W170-Y191 HydrophobicContact CH2-CE1 3.31Å; W170-Y191 HydrophobicContact CH2-CE2 4.41Å; W170-Y191 AromaticContact CH2-CZ 3.45Å; W170-Y191 VanDerWaalsContact CH2-CZ 3.45Å; W170-Y191 WeakPolarHBondContact CH2-OH 3.44Å; W170-Y191 AromaticContact CZ3-CD1 3.51Å; W170-Y191 HydrophobicContact CZ3-CD1 3.51Å; W170-Y191 AromaticContact CZ3-CE1 3.16Å; W170-Y191 HydrophobicContact CZ3-CE1 3.16Å; W170-Y191 HydrophobicContact CZ3-CE2 4.27Å; W170-Y191 HydrophobicContact CZ3-CG 4.21Å; W170-Y191 AromaticContact CZ3-CZ 3.56Å; L174-Y191 HydrophobicContact CB-CD1 4.44Å; L174-Y191 HydrophobicContact CD1-CG 4.34Å; V175-Y191 CarbonylContact O-C 3.58Å; V175-Y191 VanDerWaalsContact O-CA 3.28Å; V175-Y191 WeakPolarHBondContact O-CA 3.41Å; K176-Y191 HydrophobicContact CB-CD1 4.15Å; K176-Y191 HydrophobicContact CB-CE1 3.97Å; K176-Y191 HydrophobicContact CG-CE1 4.13Å; T189-Y191 HydrophobicContact CG2-CD2 4.3Å; T189-Y191 HydrophobicContact CG2-CE1 3.9Å; T189-Y191 HydrophobicContact CG2-CE2 3.55Å; T189-Y191 VanDerWaalsContact CG2-OH 3.31Å; T189-Y191 WeakPolarHBondContact CG2-OH 3.41Å; Y191-T205 CarbonylContact O-C 3.54Å; Y191-T205 VanDerWaalsContact O-CA 3.32Å; Y191-T205 WeakPolarHBondContact O-CA 3.18Å; Y191-M206 PolarHBondContact N-O 3.15Å; Y191-M206 PolarHBondContact O-N 2.91Å |
| 192 | D | 90.4 | Very high | 85.3 | Confident | 53 Ų | 53 | 68.5 Ų | 68.5 | 28% | 0.283 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 138.3 | 173.9 | -63.1 | -35.9 | 0 | 0 | 0 | 110.1 | L174 V175 A177 Y179 T205 | L174-D192 CarbonylContact C-O 3.57Å; L174-D192 WeakPolarHBondContact CA-O 3.42Å; V175-D192 PolarHBondContact N-O 2.9Å; V175-D192 PolarHBondContact O-N 3.04Å; A177-D192 VanDerWaalsContact CB-OD2 3.25Å; A177-D192 WeakPolarHBondContact CB-OD2 3.48Å; Y179-D192 VanDerWaalsContact OH-CG 3.25Å; Y179-D192 PolarHBondContact OH-OD1 2.93Å; Y179-D192 PolarHBondContact OH-OD2 2.94Å; Y179-D192 VanDerWaalsContact OH-OD2 3.1Å; D192-T205 WeakPolarHBondContact OD1-CB 3.5Å; D192-T205 VanDerWaalsContact OD1-CG2 3.3Å; D192-T205 WeakPolarHBondContact OD1-CG2 3.22Å; D192-T205 PolarHBondContact OD1-OG1 2.74Å |
| 193 | G | 89.1 | Confident | 86.1 | Confident | 8 Ų | 8 | 64.4 Ų | 64.4 | 8% | 0.082 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 175 | -178 | 0 | 0 | 0 | 0 | 0 | 112.5 | S203 F204 | G193-S203 WeakPolarHBondContact O-CA 3.48Å; G193-F204 PolarHBondContact N-O 3.07Å; G193-F204 PolarHBondContact O-N 2.74Å |
| 194 | F | 89.4 | Confident | 86.8 | Confident | 114 Ų | 114 | 58.9 Ų | 58.9 | 50% | 0.5 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 144.8 | 173.6 | 62.4 | -90.9 | 0 | 0 | 0 | 110.9 | Q196 T201 V202 | F194-Q196 HydrophobicContact CD2-CG 4.35Å; F194-Q196 HydrophobicContact CE2-CG 4.37Å; F194-T201 HydrophobicContact CB-CG2 3.64Å; F194-T201 HydrophobicContact CD2-CG2 3.92Å; F194-T201 HydrophobicContact CG-CG2 4.12Å; F194-V202 CarbonylContact C-O 3.47Å; F194-V202 WeakPolarHBondContact CA-O 3.27Å |
| 195 | A | 89.8 | Confident | 87.3 | Confident | 2 Ų | 2 | 61.1 Ų | 61.1 | 2% | 0.017 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 135.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | I75 I84 T86 T201 V202 F204 | I75-A195 HydrophobicContact CD1-CB 3.83Å; I75-A195 HydrophobicContact CG1-CB 4.29Å; I84-A195 HydrophobicContact CB-CB 4.49Å; I84-A195 HydrophobicContact CG2-CB 3.94Å; T86-A195 HydrophobicContact CG2-CB 4.19Å; A195-T201 WeakPolarHBondContact O-CA 3.45Å; A195-V202 PolarHBondContact N-O 3.23Å; A195-V202 PolarHBondContact O-N 3Å; A195-F204 HydrophobicContact CB-CE1 4.33Å |
| 196 | Q | 87.5 | Confident | 87.7 | Confident | 113 Ų | 113 | 59.2 Ų | 59.2 | 53% | 0.528 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 130.1 | 178.6 | -65.1 | -64.4 | -12.5 | 0 | 0 | 109.9 | I84 F194 T201 | I84-Q196 VanDerWaalsContact CG2-O 3.28Å; I84-Q196 WeakPolarHBondContact CG2-O 3.4Å; F194-Q196 HydrophobicContact CD2-CG 4.35Å; F194-Q196 HydrophobicContact CE2-CG 4.37Å; Q196-T201 PolarHBondContact NE2-OG1 3.17Å; Q196-T201 PolarHBondContact OE1-OG1 3.22Å |
| 197 | S | 86.6 | Confident | 87.9 | Confident | 25 Ų | 25 | 55.6 Ų | 55.6 | 18% | 0.175 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 153 | 171.3 | 169.6 | 0 | 0 | 0 | 0 | 109.4 | T199 G200 | S197-T199 PolarHBondContact O-N 2.83Å; S197-T199 PolarHBondContact OG-N 3.05Å; S197-T199 PolarHBondContact OG-OG1 3.4Å; S197-G200 WeakPolarHBondContact CA-O 3.49Å; S197-G200 VanDerWaalsContact CB-O 3.27Å; S197-G200 WeakPolarHBondContact CB-O 3.39Å; S197-G200 PolarHBondContact N-O 3Å; S197-G200 PolarHBondContact O-N 3.35Å; S197-G200 VanDerWaalsContact O-O 3.08Å |
| 198 | P | 85.6 | Confident | 88 | Confident | 142 Ų | 142 | 54.6 Ų | 54.6 | 92% | 0.922 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | -27.3 | 172.1 | -27.5 | 35.5 | 0 | 0 | 0 | 114 | ||
| 199 | T | 83.5 | Confident | 87.9 | Confident | 87 Ų | 87 | 57.6 Ų | 57.6 | 53% | 0.534 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -3.5 | -179 | 51.8 | 0 | 0 | 0 | 0 | 114.5 | H77 T80 S197 | H77-T199 PolarHBondContact CD2-OG1 3.43Å; H77-T199 PolarHBondContact NE2-OG1 3.36Å; T80-T199 HydrophobicContact CG2-CG2 3.74Å; S197-T199 PolarHBondContact O-N 2.83Å; S197-T199 PolarHBondContact OG-N 3.05Å; S197-T199 PolarHBondContact OG-OG1 3.4Å |
| 200 | G | 85.3 | Confident | 87.7 | Confident | 32 Ų | 32 | 61 Ų | 61 | 33% | 0.33 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 142 | 174.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | S197 | S197-G200 WeakPolarHBondContact CA-O 3.49Å; S197-G200 VanDerWaalsContact CB-O 3.27Å; S197-G200 WeakPolarHBondContact CB-O 3.39Å; S197-G200 PolarHBondContact N-O 3Å; S197-G200 PolarHBondContact O-N 3.35Å; S197-G200 VanDerWaalsContact O-O 3.08Å |
| 201 | T | 88.1 | Confident | 87.2 | Confident | 75 Ų | 75 | 63.6 Ų | 63.6 | 46% | 0.46 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 133 | 177.1 | -52 | 0 | 0 | 0 | 0 | 109.9 | F194 A195 Q196 | F194-T201 HydrophobicContact CB-CG2 3.64Å; F194-T201 HydrophobicContact CD2-CG2 3.92Å; F194-T201 HydrophobicContact CG-CG2 4.12Å; A195-T201 WeakPolarHBondContact O-CA 3.45Å; Q196-T201 PolarHBondContact NE2-OG1 3.17Å; Q196-T201 PolarHBondContact OE1-OG1 3.22Å |
| 202 | V | 90.2 | Very high | 86.9 | Confident | 17 Ų | 17 | 65.6 Ų | 65.6 | 10% | 0.103 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 115.1 | 175.1 | 179.2 | 0 | 0 | 0 | 0 | 109.4 | I75 I84 F194 A195 | I75-V202 HydrophobicContact CD1-CB 4.21Å; I75-V202 HydrophobicContact CD1-CG1 3.78Å; I84-V202 HydrophobicContact CD1-CB 3.95Å; I84-V202 HydrophobicContact CD1-CG2 3.43Å; I84-V202 VanDerWaalsContact CD1-CG2 3.43Å; F194-V202 CarbonylContact C-O 3.47Å; F194-V202 WeakPolarHBondContact CA-O 3.27Å; A195-V202 PolarHBondContact N-O 3.23Å; A195-V202 PolarHBondContact O-N 3Å |
| 203 | S | 90 | Very high | 86.7 | Confident | 100 Ų | 100 | 66.9 Ų | 66.9 | 70% | 0.699 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 144.9 | 172.1 | -60.6 | 0 | 0 | 0 | 0 | 111 | G193 | G193-S203 WeakPolarHBondContact O-CA 3.48Å |
| 204 | F | 90.1 | Very high | 86.6 | Confident | 30 Ų | 30 | 68.7 Ų | 68.7 | 13% | 0.132 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 156.5 | 175.9 | 64.5 | -84.2 | 0 | 0 | 0 | 110.8 | I75 T86 I88 L174 G193 A195 | I75-F204 HydrophobicContact CD1-CB 4.22Å; I75-F204 HydrophobicContact CD1-CD1 3.57Å; I75-F204 HydrophobicContact CD1-CE1 4.21Å; I75-F204 HydrophobicContact CD1-CG 4.09Å; T86-F204 HydrophobicContact CG2-CE1 3.95Å; T86-F204 HydrophobicContact CG2-CZ 4Å; I88-F204 HydrophobicContact CD1-CE2 3.92Å; I88-F204 HydrophobicContact CD1-CZ 3.5Å; L174-F204 HydrophobicContact CD2-CE2 4.1Å; L174-F204 HydrophobicContact CD2-CZ 4.22Å; G193-F204 PolarHBondContact N-O 3.07Å; G193-F204 PolarHBondContact O-N 2.74Å; A195-F204 HydrophobicContact CB-CE1 4.33Å |
| 205 | T | 90.5 | Very high | 86.6 | Confident | 75 Ų | 75 | 67.9 Ų | 67.9 | 46% | 0.46 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 131.9 | 173.1 | -57.8 | 0 | 0 | 0 | 0 | 108.6 | Y179 Y191 D192 | Y179-T205 HydrophobicContact CE2-CG2 3.84Å; Y179-T205 PolarHBondContact OH-OG1 2.75Å; Y191-T205 CarbonylContact O-C 3.54Å; Y191-T205 VanDerWaalsContact O-CA 3.32Å; Y191-T205 WeakPolarHBondContact O-CA 3.18Å; D192-T205 WeakPolarHBondContact OD1-CB 3.5Å; D192-T205 VanDerWaalsContact OD1-CG2 3.3Å; D192-T205 WeakPolarHBondContact OD1-CG2 3.22Å; D192-T205 PolarHBondContact OD1-OG1 2.74Å |
| 206 | M | 88.7 | Confident | 86.7 | Confident | 32 Ų | 32 | 72.5 Ų | 72.5 | 16% | 0.158 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 126.4 | 175.9 | -175.1 | 176.3 | 74 | 0 | 0 | 109.3 | L73 L174 A190 Y191 | L73-M206 HydrophobicContact CD2-SD 4.39Å; L174-M206 HydrophobicContact CD1-CE 3.6Å; A190-M206 CarbonylContact C-O 3.54Å; A190-M206 WeakPolarHBondContact CA-O 3.46Å; Y191-M206 PolarHBondContact N-O 3.15Å; Y191-M206 PolarHBondContact O-N 2.91Å |
| 207 | M | 86.8 | Confident | 86.8 | Confident | 109 Ų | 109 | 67.6 Ų | 67.6 | 54% | 0.537 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 134.6 | 169.4 | -68.8 | -177.6 | -76 | 0 | 0 | 108.9 | A190 | A190-M207 HydrophobicContact CB-CG 3.91Å |
| 208 | S | 85.9 | Confident | 87 | Confident | 14 Ų | 14 | 67.9 Ų | 67.9 | 10% | 0.098 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 137.2 | 179.6 | 77.5 | 0 | 0 | 0 | 0 | 110.2 | R165 M188 T189 | R165-S208 PolarHBondContact NH1-OG 3.43Å; R165-S208 PolarHBondContact NH2-OG 3.14Å; M188-S208 WeakPolarHBondContact CA-O 3.42Å; T189-S208 PolarHBondContact N-O 2.87Å; T189-S208 PolarHBondContact O-N 2.94Å |
| 209 | Q | 85.4 | Confident | 87.1 | Confident | 140 Ų | 140 | 63.6 Ų | 63.6 | 65% | 0.654 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 138.5 | 170.8 | -171.1 | 174.8 | 8.7 | 0 | 0 | 110.2 | R165 A211 | R165-Q209 PolarHBondContact NH2-O 2.95Å; Q209-A211 PolarHBondContact O-N 2.92Å |
| 210 | D | 82.5 | Confident | 86.9 | Confident | 87 Ų | 87 | 62.5 Ų | 62.5 | 47% | 0.465 | 39% | 0.392 | S | S | . | . | trans | -71.1 | 120.4 | 173.1 | -61.6 | -29.7 | 0 | 0 | 0 | 108.5 | G187 T189 | G187-D210 PolarHBondContact O-N 3.4Å; T189-D210 PolarHBondContact OG1-OD1 3.36Å | ||
| 211 | A | 78.3 | Confident | 85.9 | Confident | 57 Ų | 57 | 67 Ų | 67 | 47% | 0.471 | 40% | 0.402 | S | S | . | . | trans | -113.5 | 140.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | Q209 | Q209-A211 PolarHBondContact O-N 2.92Š| ||
| 212 | A | 81.7 | Confident | 84.3 | Confident | 65 Ų | 65 | 66.4 Ų | 66.4 | 54% | 0.537 | 40% | 0.401 | S | S | . | . | trans | -64 | 136.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | T214 | A212-T214 PolarHBondContact O-N 3.4Š| ||
| 213 | S | 85.5 | Confident | 82.4 | Confident | 80 Ų | 80 | 68.9 Ų | 68.9 | 56% | 0.559 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -65.7 | -21.4 | 178.9 | 64 | 0 | 0 | 0 | 0 | 113.4 | S162 L163 | S162-S213 WeakPolarHBondContact CA-O 3.25Å; L163-S213 PolarHBondContact N-O 3.4Å; L163-S213 WeakPolarHBondContact O-CA 3.36Å |
| 214 | T | 87.8 | Confident | 80.1 | Confident | 47 Ų | 47 | 69 Ų | 69 | 29% | 0.288 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 134 | 179.5 | -52.1 | 0 | 0 | 0 | 0 | 109.6 | K97 F161 A212 | K97-T214 HydrophobicContact CD-CG2 4.24Å; K97-T214 PolarHBondContact NZ-OG1 3.23Å; F161-T214 CarbonylContact O-C 3.53Å; F161-T214 VanDerWaalsContact O-CA 3.27Å; F161-T214 WeakPolarHBondContact O-CA 3.26Å; A212-T214 PolarHBondContact O-N 3.4Å |
| 215 | F | 89.4 | Confident | 77.8 | Confident | 97 Ų | 97 | 74 Ų | 74 | 43% | 0.425 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 126.1 | 176.6 | -166.4 | -104.5 | 0 | 0 | 0 | 110.2 | F151 F161 L163 V217 | F151-F215 AromaticContact CD2-CD1 3.83Å; F151-F215 HydrophobicContact CD2-CD1 3.83Å; F151-F215 AromaticContact CD2-CE1 3.69Å; F151-F215 HydrophobicContact CD2-CE1 3.69Å; F151-F215 AromaticContact CE2-CD1 3.66Å; F151-F215 HydrophobicContact CE2-CD1 3.66Å; F151-F215 AromaticContact CE2-CE1 3.88Å; F151-F215 HydrophobicContact CE2-CE1 3.88Å; F151-F215 HydrophobicContact CE2-CG 4.45Å; F151-F215 HydrophobicContact CG-CD1 4.47Å; F151-F215 HydrophobicContact CG-CE1 4.48Å; F151-F215 HydrophobicContact CZ-CD1 4.19Å; F161-F215 PolarHBondContact N-O 3.31Å; F161-F215 PolarHBondContact O-N 3.39Å; L163-F215 HydrophobicContact CD1-CB 3.47Å; L163-F215 VanDerWaalsContact CD1-CB 3.47Å; F215-V217 HydrophobicContact CD1-CG2 3.62Å; F215-V217 HydrophobicContact CE1-CG2 3.73Å |
| 216 | N | 90.9 | Very high | 75.3 | Confident | 99 Ų | 99 | 77.5 Ų | 77.5 | 53% | 0.529 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 120.6 | -177.6 | -70.1 | -30.1 | 0 | 0 | 0 | 109.9 | V158 S160 | V158-N216 HydrophobicContact CG1-CB 3.86Å; S160-N216 VanDerWaalsContact CB-OD1 3.31Å; S160-N216 WeakPolarHBondContact CB-OD1 3.37Å; S160-N216 PolarHBondContact OG-OD1 3.06Å |
| 217 | V | 89.9 | Confident | 73 | Confident | 9 Ų | 9 | 79.3 Ų | 79.3 | 6% | 0.055 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 113.9 | -177.3 | -172.2 | 0 | 0 | 0 | 0 | 108.9 | F151 N153 A159 F161 F215 | F151-V217 HydrophobicContact CB-CB 4.49Å; F151-V217 HydrophobicContact CB-CG1 4.07Å; F151-V217 HydrophobicContact CB-CG2 3.67Å; F151-V217 HydrophobicContact CD1-CG2 4.16Å; F151-V217 HydrophobicContact CD2-CG2 4.29Å; F151-V217 HydrophobicContact CG-CG2 3.8Å; N153-V217 HydrophobicContact CB-CB 4.29Å; N153-V217 HydrophobicContact CB-CG1 3.68Å; N153-V217 PolarHBondContact ND2-O 2.89Å; A159-V217 PolarHBondContact N-O 3.16Å; A159-V217 PolarHBondContact O-N 2.91Å; F161-V217 HydrophobicContact CD2-CG2 3.79Å; F161-V217 HydrophobicContact CE2-CB 4.25Å; F161-V217 HydrophobicContact CE2-CG2 3.68Å; F215-V217 HydrophobicContact CD1-CG2 3.62Å; F215-V217 HydrophobicContact CE1-CG2 3.73Å |
| 218 | A | 90.2 | Very high | 71.2 | Confident | 31 Ų | 31 | 76.9 Ų | 76.9 | 26% | 0.256 | 48% | 0.475 | S | S | . | . | trans | -67.1 | 155 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | K221 | A218-K221 HydrophobicContact CB-CD 3.84Å; A218-K221 HydrophobicContact CB-CG 4.16Å; A218-K221 PolarHBondContact O-N 3.48Å | ||
| 219 | P | 87.8 | Confident | 70 | Confident | 52 Ų | 52 | 81.2 Ų | 81.2 | 34% | 0.338 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | 144.9 | 172.2 | -28.7 | 35.1 | 0 | 0 | 0 | 113.5 | T155 R156 K221 | T155-P219 WeakPolarHBondContact O-CA 3.37Å; T155-P219 VanDerWaalsContact O-CB 3.26Å; T155-P219 WeakPolarHBondContact O-CB 3.44Å; R156-P219 VanDerWaalsContact C-CG 3.43Å; R156-P219 WeakPolarHBondContact O-CG 3.49Å; P219-K221 PolarHBondContact O-N 3.05Å |
| 220 | G | 79.5 | Confident | 68.6 | Low | 65 Ų | 65 | 80 Ų | 80 | 67% | 0.67 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.7 | 0.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | N153 S222 | N153-G220 PolarHBondContact O-N 3.01Å; G220-S222 PolarHBondContact O-N 3.34Å |
| 221 | K | 64 | Low | 67.8 | Low | 127 Ų | 127 | 78.7 Ų | 78.7 | 55% | 0.552 | 50% | 0.501 | S | S | * | . | trans | -77.3 | 106.9 | 172.5 | -69.8 | -167.8 | 178.7 | -179.8 | 0 | 109.1 | N153 A218 P219 | N153-K221 PolarHBondContact N-O 3.13Å; A218-K221 HydrophobicContact CB-CD 3.84Å; A218-K221 HydrophobicContact CB-CG 4.16Å; A218-K221 PolarHBondContact O-N 3.48Å; P219-K221 PolarHBondContact O-N 3.05Å | ||
| 222 | S | 54.6 | Low | 67.5 | Low | 61 Ų | 61 | 77.6 Ų | 77.6 | 43% | 0.427 | 49% | 0.49 | S | S | . | . | trans | -70.8 | 153.3 | 139.8 | -155.8 | 0 | 0 | 0 | 0 | 107.5 | G220 V224 | G220-S222 PolarHBondContact O-N 3.34Å; S222-V224 PolarHBondContact O-N 2.86Å | ||
| 223 | P | 50.3 | Low | 67.1 | Low | 70 Ų | 70 | 77.8 Ų | 77.8 | 46% | 0.455 | 48% | 0.484 | S | S | . | . | trans | -59.2 | 98.7 | 163.3 | 6.7 | 1.2 | 0 | 0 | 0 | 106.4 | F151 N225 | F151-P223 WeakPolarHBondContact O-CD 3.31Å; P223-N225 PolarHBondContact O-N 3.49Å | ||
| 224 | V | 41.8 | Very low | 66.7 | Low | 103 Ų | 103 | 79.4 Ų | 79.4 | 62% | 0.624 | 48% | 0.483 | S | S | * | . | trans | -65 | 127.4 | 160.2 | -178.2 | 0 | 0 | 0 | 0 | 103.2 | S222 N226 | S222-V224 PolarHBondContact O-N 2.86Å; V224-N226 HydrophobicContact CG1-CB 4.36Å; V224-N226 VanDerWaalsContact CG1-OD1 3.26Å; V224-N226 WeakPolarHBondContact CG1-OD1 3.46Å; V224-N226 PolarHBondContact O-N 3.47Å | ||
| 225 | N | 42.1 | Very low | 66.5 | Low | 133 Ų | 133 | 78 Ų | 78 | 71% | 0.711 | 48% | 0.475 | S | S | * | . | trans | -60 | 33.4 | 174.7 | -77.7 | -16.2 | 0 | 0 | 0 | 113.2 | P223 G227 V228 | P223-N225 PolarHBondContact O-N 3.49Å; N225-G227 PolarHBondContact O-N 2.92Å; N225-V228 HydrophobicContact CB-CG2 3.92Å; N225-V228 WeakPolarHBondContact OD1-CG2 3.35Å | ||
| 226 | N | 37.7 | Very low | 66.6 | Low | 149 Ų | 149 | 75.2 Ų | 75.2 | 80% | 0.797 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | 85.3 | 174.1 | -79.7 | 1 | 0 | 0 | 0 | 108.2 | V224 | V224-N226 HydrophobicContact CG1-CB 4.36Å; V224-N226 VanDerWaalsContact CG1-OD1 3.26Å; V224-N226 WeakPolarHBondContact CG1-OD1 3.46Å; V224-N226 PolarHBondContact O-N 3.47Å |
| 227 | G | 41.5 | Very low | 66.6 | Low | 70 Ų | 70 | 75.7 Ų | 75.7 | 72% | 0.722 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.6 | 43.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | N225 N229 | N225-G227 PolarHBondContact O-N 2.92Å; G227-N229 PolarHBondContact O-N 3.26Å |
| 228 | V | 48.9 | Very low | 66.6 | Low | 58 Ų | 58 | 78.8 Ų | 78.8 | 35% | 0.352 | 48% | 0.475 | S | S | . | . | trans | -53.3 | 116.5 | 156.6 | -167.2 | 0 | 0 | 0 | 0 | 105.6 | N225 V230 V233 | N225-V228 HydrophobicContact CB-CG2 3.92Å; N225-V228 WeakPolarHBondContact OD1-CG2 3.35Å; V228-V230 PolarHBondContact O-N 3.44Å; V228-V233 HydrophobicContact CB-CG2 4Å; V228-V233 HydrophobicContact CG1-CG2 3.27Å | ||
| 229 | N | 59.8 | Low | 66.8 | Low | 106 Ų | 106 | 77.3 Ų | 77.3 | 57% | 0.567 | 46% | 0.462 | S | S | * | . | trans | -56.6 | 118.6 | -176 | -176.7 | -14.1 | 0 | 0 | 0 | 107.1 | G227 A231 S232 V233 | G227-N229 PolarHBondContact O-N 3.26Å; N229-A231 PolarHBondContact O-N 3.42Å; N229-A231 WeakPolarHBondContact OD1-CB 3.49Å; N229-A231 PolarHBondContact OD1-N 3.14Å; N229-A231 VanDerWaalsContact OD1-N 3.11Å; N229-S232 PolarHBondContact O-N 2.98Å; N229-S232 PolarHBondContact O-OG 2.9Å; N229-V233 PolarHBondContact O-N 3.02Å | ||
| 230 | V | 57.4 | Low | 67.1 | Low | 115 Ų | 115 | 76.2 Ų | 76.2 | 70% | 0.697 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -51.8 | -33.9 | -178.1 | 176.9 | 0 | 0 | 0 | 0 | 110.5 | V228 V233 Q234 | V228-V230 PolarHBondContact O-N 3.44Å; V230-V233 PolarHBondContact O-N 3.28Å; V230-Q234 WeakPolarHBondContact O-CB 3.47Å; V230-Q234 PolarHBondContact O-N 2.97Å |
| 231 | A | 64.4 | Low | 67.6 | Low | 59 Ų | 59 | 75 Ų | 75 | 49% | 0.488 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -65 | -36.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | N229 S235 | N229-A231 PolarHBondContact O-N 3.42Å; N229-A231 WeakPolarHBondContact OD1-CB 3.49Å; N229-A231 PolarHBondContact OD1-N 3.14Å; N229-A231 VanDerWaalsContact OD1-N 3.11Å; A231-S235 WeakPolarHBondContact O-CB 3.28Å; A231-S235 PolarHBondContact O-N 3.41Å |
| 232 | S | 71.6 | Confident | 68.9 | Low | 34 Ų | 34 | 69.1 Ų | 69.1 | 24% | 0.238 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -72.7 | -36.8 | 177.6 | 69.1 | 0 | 0 | 0 | 0 | 111.9 | N229 Y236 | N229-S232 PolarHBondContact O-N 2.98Å; N229-S232 PolarHBondContact O-OG 2.9Å; S232-Y236 WeakPolarHBondContact O-CB 3.4Å; S232-Y236 PolarHBondContact O-N 3.29Å |
| 233 | V | 74.6 | Confident | 70.8 | Confident | 68 Ų | 68 | 66.3 Ų | 66.3 | 41% | 0.412 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.8 | -50.3 | 174.2 | -177 | 0 | 0 | 0 | 0 | 110.4 | V228 N229 V230 S235 Y236 E237 | V228-V233 HydrophobicContact CB-CG2 4Å; V228-V233 HydrophobicContact CG1-CG2 3.27Å; N229-V233 PolarHBondContact O-N 3.02Å; V230-V233 PolarHBondContact O-N 3.28Å; V233-S235 VanDerWaalsContact C-N 3.32Å; V233-S235 PolarHBondContact O-N 2.94Å; V233-Y236 PolarHBondContact O-N 2.98Å; V233-E237 PolarHBondContact O-N 3.49Å |
| 234 | Q | 76.5 | Confident | 72.8 | Confident | 114 Ų | 114 | 70.2 Ų | 70.2 | 53% | 0.533 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.8 | -43.9 | 179.6 | -175.5 | 179.7 | -17.9 | 0 | 0 | 111.3 | V230 Y236 E237 E238 | V230-Q234 WeakPolarHBondContact O-CB 3.47Å; V230-Q234 PolarHBondContact O-N 2.97Å; Q234-Y236 VanDerWaalsContact C-N 3.32Å; Q234-Y236 PolarHBondContact O-N 2.98Å; Q234-E237 PolarHBondContact O-N 3.04Å; Q234-E238 WeakPolarHBondContact CG-OE1 3.44Å; Q234-E238 PolarHBondContact NE2-OE1 3.49Å; Q234-E238 WeakPolarHBondContact O-CG 3.46Å; Q234-E238 PolarHBondContact O-N 3.41Å |
| 235 | S | 83.3 | Confident | 74.9 | Confident | 17 Ų | 17 | 68.9 Ų | 68.9 | 12% | 0.119 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -59.9 | -40.6 | 176.3 | 179.1 | 0 | 0 | 0 | 0 | 112.4 | H138 A231 V233 E238 H239 | H138-S235 PolarHBondContact CD2-OG 2.85Å; H138-S235 PolarHBondContact NE2-O 3.13Å; H138-S235 PolarHBondContact NE2-OG 2.97Å; A231-S235 WeakPolarHBondContact O-CB 3.28Å; A231-S235 PolarHBondContact O-N 3.41Å; V233-S235 VanDerWaalsContact C-N 3.32Å; V233-S235 PolarHBondContact O-N 2.94Å; S235-E238 PolarHBondContact O-N 3.12Å; S235-H239 PolarHBondContact O-N 3.46Å; S235-H239 VanDerWaalsContact O-N 3.11Å |
| 236 | Y | 91.9 | Very high | 77.2 | Confident | 40 Ų | 40 | 62.9 Ų | 62.9 | 16% | 0.157 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -66.2 | -43.8 | 176.9 | -178.7 | -120.8 | 0 | 0 | 0 | 112.7 | V115 L134 Y136 S232 V233 Q234 E238 H239 L240 | V115-Y236 HydrophobicContact CG1-CE2 3.97Å; L134-Y236 HydrophobicContact CD2-CD2 4.28Å; L134-Y236 HydrophobicContact CD2-CE2 3.78Å; Y136-Y236 HydrophobicContact CD1-CD2 4.24Å; Y136-Y236 HydrophobicContact CD1-CE2 4.36Å; Y136-Y236 AromaticContact CE1-CD2 3.68Å; Y136-Y236 HydrophobicContact CE1-CD2 3.68Å; Y136-Y236 HydrophobicContact CE1-CE2 4.18Å; Y136-Y236 HydrophobicContact CE2-CD2 4.43Å; Y136-Y236 AromaticContact CZ-CD2 3.79Å; S232-Y236 WeakPolarHBondContact O-CB 3.4Å; S232-Y236 PolarHBondContact O-N 3.29Å; V233-Y236 PolarHBondContact O-N 2.98Å; Q234-Y236 VanDerWaalsContact C-N 3.32Å; Q234-Y236 PolarHBondContact O-N 2.98Å; Y236-E238 VanDerWaalsContact C-N 3.34Å; Y236-E238 PolarHBondContact O-N 3.35Å; Y236-H239 WeakPolarHBondContact O-CB 3.3Å; Y236-H239 PolarHBondContact O-N 3.3Å; Y236-L240 HydrophobicContact CD1-CD1 4.04Å; Y236-L240 HydrophobicContact CD1-CG 4.47Å; Y236-L240 HydrophobicContact CD2-CG 4.43Å; Y236-L240 HydrophobicContact CE1-CD1 3.5Å; Y236-L240 HydrophobicContact CE1-CG 4.1Å; Y236-L240 HydrophobicContact CE2-CD1 4.33Å; Y236-L240 HydrophobicContact CE2-CD2 4.03Å; Y236-L240 HydrophobicContact CE2-CG 4.04Å; Y236-L240 WeakPolarHBondContact O-CG 3.37Å; Y236-L240 PolarHBondContact O-N 3.42Å |
| 237 | E | 91.7 | Very high | 79.9 | Confident | 108 Ų | 108 | 56.6 Ų | 56.6 | 51% | 0.505 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.4 | -37.2 | 177.1 | -69.1 | -59.5 | 149.8 | 0 | 0 | 112.4 | V233 Q234 H239 L240 S241 | V233-E237 PolarHBondContact O-N 3.49Å; Q234-E237 PolarHBondContact O-N 3.04Å; E237-H239 VanDerWaalsContact C-N 3.35Å; E237-H239 PolarHBondContact O-N 3.27Å; E237-L240 PolarHBondContact O-N 3.02Å; E237-S241 VanDerWaalsContact O-CB 3.28Å; E237-S241 WeakPolarHBondContact O-CB 3.41Å; E237-S241 PolarHBondContact O-N 3.08Å |
| 238 | E | 89.7 | Confident | 82.1 | Confident | 75 Ų | 75 | 56.9 Ų | 56.9 | 35% | 0.35 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.5 | -42.2 | 172.9 | -74.7 | 174.1 | -165.4 | 0 | 0 | 111.7 | Q234 S235 Y236 A242 | Q234-E238 WeakPolarHBondContact CG-OE1 3.44Å; Q234-E238 PolarHBondContact NE2-OE1 3.49Å; Q234-E238 WeakPolarHBondContact O-CG 3.46Å; Q234-E238 PolarHBondContact O-N 3.41Å; S235-E238 PolarHBondContact O-N 3.12Å; Y236-E238 VanDerWaalsContact C-N 3.34Å; Y236-E238 PolarHBondContact O-N 3.35Å; E238-A242 WeakPolarHBondContact O-CB 3.4Å; E238-A242 PolarHBondContact O-N 3.26Å; E238-A242 VanDerWaalsContact O-N 3.08Å |
| 239 | H | 93.1 | Very high | 84.1 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.9 | -48.4 | 173.2 | 167.9 | 92.3 | 0 | 0 | 0 | 112.1 | K113 G114 Y136 A137 R139 S235 Y236 E237 S241 A242 W243 | K113-H239 PolarHBondContact O-NE2 3.05Å; K113-H239 VanDerWaalsContact O-NE2 3.11Å; G114-H239 PolarHBondContact O-CE1 3.11Å; G114-H239 PolarHBondContact O-NE2 3.46Å; Y136-H239 HydrophobicContact CD2-CB 4.3Å; Y136-H239 AromaticContact CD2-CE1 3.91Å; Y136-H239 AromaticContact CD2-CG 3.79Å; Y136-H239 AromaticContact CD2-ND1 3.72Å; Y136-H239 HydrophobicContact CE2-CB 4.26Å; A137-H239 PolarHBondContact O-CE1 3.26Å; A137-H239 VanDerWaalsContact O-CE1 3.31Å; A137-H239 PolarHBondContact O-ND1 3.16Å; R139-H239 PolarHBondContact N-ND1 3.33Å; S235-H239 PolarHBondContact O-N 3.46Å; S235-H239 VanDerWaalsContact O-N 3.11Å; Y236-H239 WeakPolarHBondContact O-CB 3.3Å; Y236-H239 PolarHBondContact O-N 3.3Å; E237-H239 VanDerWaalsContact C-N 3.35Å; E237-H239 PolarHBondContact O-N 3.27Å; H239-S241 VanDerWaalsContact C-N 3.35Å; H239-S241 PolarHBondContact O-N 3.02Å; H239-A242 PolarHBondContact O-N 2.85Å; H239-W243 AromaticContact CE1-CD1 3.35Å; H239-W243 AromaticContact CE1-NE1 3.18Å; H239-W243 PolarHBondContact CE1-NE1 3.3Å; H239-W243 AromaticContact ND1-CD1 3.78Å; H239-W243 AromaticContact ND1-NE1 3.81Å; H239-W243 AromaticContact NE2-CD1 3.48Å; H239-W243 AromaticContact NE2-NE1 3.68Å; H239-W243 PolarHBondContact O-N 2.84Å; H239-W243 VanDerWaalsContact O-N 3.12Å |
| 240 | L | 95.2 | Very high | 85.7 | Confident | 29 Ų | 29 | 49.4 Ų | 49.4 | 15% | 0.152 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.3 | -41.7 | 179.3 | -70.4 | -175.4 | 0 | 0 | 0 | 112.2 | K113 V115 Y236 E237 W243 K244 | K113-L240 HydrophobicContact CB-CD2 3.85Å; K113-L240 HydrophobicContact CD-CD2 4.25Å; K113-L240 HydrophobicContact CG-CD2 4.21Å; V115-L240 HydrophobicContact CG1-CD2 4.34Å; Y236-L240 HydrophobicContact CD1-CD1 4.04Å; Y236-L240 HydrophobicContact CD1-CG 4.47Å; Y236-L240 HydrophobicContact CD2-CG 4.43Å; Y236-L240 HydrophobicContact CE1-CD1 3.5Å; Y236-L240 HydrophobicContact CE1-CG 4.1Å; Y236-L240 HydrophobicContact CE2-CD1 4.33Å; Y236-L240 HydrophobicContact CE2-CD2 4.03Å; Y236-L240 HydrophobicContact CE2-CG 4.04Å; Y236-L240 WeakPolarHBondContact O-CG 3.37Å; Y236-L240 PolarHBondContact O-N 3.42Å; E237-L240 PolarHBondContact O-N 3.02Å; L240-W243 PolarHBondContact O-N 3.08Å; L240-K244 WeakPolarHBondContact O-CB 3.36Å; L240-K244 PolarHBondContact O-N 3.48Å |
| 241 | S | 90.5 | Very high | 87.5 | Confident | 40 Ų | 40 | 44 Ų | 44 | 28% | 0.28 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -59.8 | -46.2 | 176.5 | -175.5 | 0 | 0 | 0 | 0 | 111.2 | E237 H239 W243 K244 Q245 | E237-S241 VanDerWaalsContact O-CB 3.28Å; E237-S241 WeakPolarHBondContact O-CB 3.41Å; E237-S241 PolarHBondContact O-N 3.08Å; H239-S241 VanDerWaalsContact C-N 3.35Å; H239-S241 PolarHBondContact O-N 3.02Å; S241-W243 PolarHBondContact O-N 3.39Å; S241-K244 WeakPolarHBondContact O-CB 3.45Å; S241-K244 PolarHBondContact O-N 2.96Å; S241-Q245 VanDerWaalsContact O-CG 3.3Å; S241-Q245 WeakPolarHBondContact O-CG 3.48Å; S241-Q245 PolarHBondContact O-N 3.34Å |
| 242 | A | 90.4 | Very high | 89 | Confident | 3 Ų | 3 | 43.6 Ų | 43.6 | 3% | 0.025 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61 | -41.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | R139 V140 E238 H239 Q245 L246 L280 | R139-A242 HydrophobicContact CB-CB 3.95Å; R139-A242 HydrophobicContact CG-CB 3.92Å; V140-A242 HydrophobicContact CG2-CB 3.81Å; E238-A242 WeakPolarHBondContact O-CB 3.4Å; E238-A242 PolarHBondContact O-N 3.26Å; E238-A242 VanDerWaalsContact O-N 3.08Å; H239-A242 PolarHBondContact O-N 2.85Å; A242-Q245 PolarHBondContact O-N 2.9Å; A242-L246 PolarHBondContact O-N 2.99Å; A242-L280 HydrophobicContact CB-CD2 3.99Å |
| 243 | W | 94.1 | Very high | 90 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 0% | 0.004 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -68.1 | -42.6 | 175.1 | -85.8 | 100.7 | 0 | 0 | 0 | 112.7 | H239 L240 S241 Q245 L246 W247 Y272 L275 | H239-W243 AromaticContact CE1-CD1 3.35Å; H239-W243 AromaticContact CE1-NE1 3.18Å; H239-W243 PolarHBondContact CE1-NE1 3.3Å; H239-W243 AromaticContact ND1-CD1 3.78Å; H239-W243 AromaticContact ND1-NE1 3.81Å; H239-W243 AromaticContact NE2-CD1 3.48Å; H239-W243 AromaticContact NE2-NE1 3.68Å; H239-W243 PolarHBondContact O-N 2.84Å; H239-W243 VanDerWaalsContact O-N 3.12Å; L240-W243 PolarHBondContact O-N 3.08Å; S241-W243 PolarHBondContact O-N 3.39Å; W243-Q245 PolarHBondContact O-N 3.34Å; W243-L246 HydrophobicContact CE3-CD1 4.4Å; W243-L246 PolarHBondContact O-N 3.34Å; W243-L246 VanDerWaalsContact O-N 3.11Å; W243-W247 AromaticContact CE3-CD1 3.87Å; W243-W247 AromaticContact CE3-NE1 3.5Å; W243-W247 AromaticContact CZ3-NE1 3.7Å; W243-W247 VanDerWaalsContact O-CD1 3.29Å; W243-W247 PolarHBondContact O-N 2.81Å; W243-W247 VanDerWaalsContact O-N 3.16Å; W243-Y272 AromaticContact CH2-CD2 3.82Å; W243-Y272 HydrophobicContact CH2-CD2 3.82Å; W243-Y272 AromaticContact CH2-CE2 3.89Å; W243-Y272 HydrophobicContact CH2-CE2 3.89Å; W243-Y272 HydrophobicContact CZ2-CE2 4.34Å; W243-Y272 HydrophobicContact CZ3-CD2 4.02Å; W243-Y272 HydrophobicContact CZ3-CE2 4.41Å; W243-L275 HydrophobicContact CH2-CB 3.91Å; W243-L275 HydrophobicContact CZ3-CB 3.86Å; W243-L275 HydrophobicContact CZ3-CD1 3.93Å |
| 244 | K | 91.9 | Very high | 90.8 | Very high | 152 Ų | 152 | 41.9 Ų | 41.9 | 66% | 0.661 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -55.1 | -41.1 | 175 | -175.1 | -176.7 | -178.2 | -174.8 | 0 | 111.5 | L240 S241 W247 I248 | L240-K244 WeakPolarHBondContact O-CB 3.36Å; L240-K244 PolarHBondContact O-N 3.48Å; S241-K244 WeakPolarHBondContact O-CB 3.45Å; S241-K244 PolarHBondContact O-N 2.96Å; K244-W247 PolarHBondContact O-N 2.93Å; K244-I248 WeakPolarHBondContact O-CG1 3.32Å; K244-I248 PolarHBondContact O-N 3.31Å |
| 245 | Q | 86.1 | Confident | 91.6 | Very high | 75 Ų | 75 | 42 Ų | 42 | 35% | 0.35 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -64.8 | -41.7 | 177.7 | -68.6 | -67.2 | -0.2 | 0 | 0 | 112.7 | S241 A242 W243 W247 I248 L287 | S241-Q245 VanDerWaalsContact O-CG 3.3Å; S241-Q245 WeakPolarHBondContact O-CG 3.48Å; S241-Q245 PolarHBondContact O-N 3.34Å; A242-Q245 PolarHBondContact O-N 2.9Å; W243-Q245 PolarHBondContact O-N 3.34Å; Q245-W247 PolarHBondContact O-N 3.2Å; Q245-I248 PolarHBondContact O-N 3.48Å; Q245-L287 HydrophobicContact CG-CD2 4.01Å; Q245-L287 PolarHBondContact NE2-O 2.77Å |
| 246 | L | 91.2 | Very high | 92 | Very high | 7 Ų | 7 | 41.3 Ų | 41.3 | 4% | 0.037 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61 | -35.6 | 176 | -69.8 | 173.1 | 0 | 0 | 0 | 112.2 | A242 W243 L275 L280 A361 A362 M365 | A242-L246 PolarHBondContact O-N 2.99Å; W243-L246 HydrophobicContact CE3-CD1 4.4Å; W243-L246 PolarHBondContact O-N 3.34Å; W243-L246 VanDerWaalsContact O-N 3.11Å; L246-L275 HydrophobicContact CB-CD1 4.37Å; L246-L280 HydrophobicContact CD2-CD1 4.19Å; L246-A361 HydrophobicContact CD1-CB 4.16Å; L246-A361 HydrophobicContact CD2-CB 3.89Å; L246-A362 HydrophobicContact CD2-CB 3.82Å; L246-M365 WeakPolarHBondContact O-CG 3.33Å |
| 247 | W | 93.5 | Very high | 91.9 | Very high | 18 Ų | 18 | 46.7 Ų | 46.7 | 7% | 0.068 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 2.1 | -178.4 | -74.4 | 101.9 | 0 | 0 | 0 | 115.1 | F111 T112 W243 K244 Q245 S249 N268 I271 L275 M365 | F111-W247 HydrophobicContact CB-CZ2 4.14Å; F111-W247 PolarHBondContact O-NE1 3.2Å; T112-W247 HydrophobicContact CG2-CD2 4.09Å; T112-W247 HydrophobicContact CG2-CE3 4.4Å; T112-W247 HydrophobicContact CG2-CG 4.23Å; W243-W247 AromaticContact CE3-CD1 3.87Å; W243-W247 AromaticContact CE3-NE1 3.5Å; W243-W247 AromaticContact CZ3-NE1 3.7Å; W243-W247 VanDerWaalsContact O-CD1 3.29Å; W243-W247 PolarHBondContact O-N 2.81Å; W243-W247 VanDerWaalsContact O-N 3.16Å; K244-W247 PolarHBondContact O-N 2.93Å; Q245-W247 PolarHBondContact O-N 3.2Å; W247-S249 VanDerWaalsContact C-N 3.31Å; W247-S249 CarbonylContact C-O 3.53Å; W247-S249 VanDerWaalsContact C-O 3.25Å; W247-N268 HydrophobicContact CH2-CB 4.06Å; W247-N268 HydrophobicContact CZ3-CB 4.5Å; W247-I271 HydrophobicContact CH2-CB 3.72Å; W247-I271 HydrophobicContact CH2-CD1 4.31Å; W247-I271 HydrophobicContact CH2-CG2 3.44Å; W247-I271 VanDerWaalsContact CH2-CG2 3.44Å; W247-I271 HydrophobicContact CZ2-CB 4.33Å; W247-I271 HydrophobicContact CZ2-CG2 3.78Å; W247-I271 HydrophobicContact CZ3-CB 4.36Å; W247-I271 HydrophobicContact CZ3-CD1 4.18Å; W247-I271 HydrophobicContact CZ3-CG2 3.91Å; W247-L275 HydrophobicContact CZ2-CD1 4.32Å; W247-M365 HydrophobicContact CE3-CE 4.08Å; W247-M365 HydrophobicContact CZ3-CE 4.29Å |
| 248 | I | 88.9 | Confident | 91.7 | Very high | 75 Ų | 75 | 42 Ų | 42 | 39% | 0.385 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -48.5 | 169.1 | -68.3 | -173 | 0 | 0 | 0 | 109.3 | K244 Q245 R398 N399 | K244-I248 WeakPolarHBondContact O-CG1 3.32Å; K244-I248 PolarHBondContact O-N 3.31Å; Q245-I248 PolarHBondContact O-N 3.48Å; I248-R398 WeakPolarHBondContact O-CB 3.41Å; I248-N399 HydrophobicContact CG2-CB 3.89Å |
| 249 | S | 90.8 | Very high | 91.4 | Very high | 8 Ų | 8 | 43.2 Ų | 43.2 | 6% | 0.056 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -77.3 | 141.6 | 166.7 | -60.4 | 0 | 0 | 0 | 0 | 109.3 | W247 M365 Q366 R398 N399 | W247-S249 VanDerWaalsContact C-N 3.31Å; W247-S249 CarbonylContact C-O 3.53Å; W247-S249 VanDerWaalsContact C-O 3.25Å; S249-M365 WeakPolarHBondContact O-CE 3.36Å; S249-Q366 PolarHBondContact OG-NE2 3.3Å; S249-R398 VanDerWaalsContact CA-O 3.3Å; S249-R398 WeakPolarHBondContact CA-O 3.31Å; S249-N399 WeakPolarHBondContact OG-CB 3.22Å; S249-N399 PolarHBondContact OG-ND2 2.69Å; S249-N399 PolarHBondContact OG-O 2.97Å |
| 250 | G | 93.3 | Very high | 91 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 175.2 | 171.9 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | M365 R398 | G250-M365 VanDerWaalsContact CA-CE 3.49Å; G250-R398 PolarHBondContact N-O 2.92Å; G250-R398 VanDerWaalsContact N-O 3.14Å; G250-R398 PolarHBondContact O-N 2.92Å |
| 251 | F | 95.7 | Very high | 90.6 | Very high | 1 Ų | 1 | 46 Ų | 46 | 0% | 0.004 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 138.1 | 175.9 | 179.4 | -111.3 | 0 | 0 | 0 | 108.8 | I253 I267 L305 F372 C395 L396 F397 | F251-I253 HydrophobicContact CE1-CB 3.79Å; F251-I253 HydrophobicContact CE1-CD1 4.26Å; F251-I253 HydrophobicContact CE1-CG2 4.04Å; F251-I253 HydrophobicContact CZ-CB 3.89Å; F251-I253 HydrophobicContact CZ-CD1 3.94Å; F251-I253 HydrophobicContact CZ-CG1 4.41Å; F251-I267 HydrophobicContact CD1-CD1 4.01Å; F251-I267 HydrophobicContact CD1-CG2 4.17Å; F251-I267 HydrophobicContact CE1-CD1 3.83Å; F251-L305 HydrophobicContact CD1-CD2 4.27Å; F251-L305 HydrophobicContact CE1-CD1 3.84Å; F251-L305 HydrophobicContact CE1-CD2 3.64Å; F251-L305 HydrophobicContact CE1-CG 4.41Å; F251-L305 HydrophobicContact CE2-CD1 4.27Å; F251-L305 HydrophobicContact CZ-CD1 3.49Å; F251-L305 VanDerWaalsContact CZ-CD1 3.49Å; F251-L305 HydrophobicContact CZ-CD2 4.2Å; F251-L305 HydrophobicContact CZ-CG 4.5Å; F251-F372 HydrophobicContact CB-CD2 3.58Å; F251-F372 HydrophobicContact CB-CE2 3.97Å; F251-F372 AromaticContact CD1-CD2 3.84Å; F251-F372 HydrophobicContact CD1-CD2 3.84Å; F251-F372 HydrophobicContact CD1-CE2 4.23Å; F251-F372 HydrophobicContact CD1-CG 4.33Å; F251-F372 HydrophobicContact CG-CB 4.49Å; F251-F372 AromaticContact CG-CD2 3.74Å; F251-F372 HydrophobicContact CG-CD2 3.74Å; F251-F372 HydrophobicContact CG-CE2 4.36Å; F251-F372 HydrophobicContact CG-CG 4.4Å; F251-C395 HydrophobicContact CE2-CB 3.72Å; F251-C395 HydrophobicContact CZ-CB 3.85Å; F251-L396 WeakPolarHBondContact CA-O 3.33Å; F251-F397 AromaticContact CD2-CD1 3.53Å; F251-F397 HydrophobicContact CD2-CD1 3.53Å; F251-F397 AromaticContact CD2-CE1 3.45Å; F251-F397 HydrophobicContact CD2-CE1 3.45Å; F251-F397 VanDerWaalsContact CD2-CE1 3.45Å; F251-F397 HydrophobicContact CD2-CG 4.18Å; F251-F397 HydrophobicContact CD2-CZ 4.01Å; F251-F397 AromaticContact CE2-CD1 3.96Å; F251-F397 HydrophobicContact CE2-CD1 3.96Å; F251-F397 AromaticContact CE2-CE1 3.44Å; F251-F397 HydrophobicContact CE2-CE1 3.44Å; F251-F397 VanDerWaalsContact CE2-CE1 3.44Å; F251-F397 HydrophobicContact CE2-CE2 4.1Å; F251-F397 AromaticContact CE2-CZ 3.53Å; F251-F397 HydrophobicContact CE2-CZ 3.53Å |
| 252 | S | 94.2 | Very high | 90.7 | Very high | 50 Ų | 50 | 44.3 Ų | 44.3 | 35% | 0.35 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 142.3 | 170.4 | -68.1 | 0 | 0 | 0 | 0 | 109.1 | C395 L396 R398 | S252-C395 CarbonylContact O-C 3.59Å; S252-C395 WeakPolarHBondContact O-CA 3.36Å; S252-C395 WeakPolarHBondContact O-CB 3.42Å; S252-L396 PolarHBondContact N-O 3.35Å; S252-L396 PolarHBondContact O-N 2.9Å; S252-R398 PolarHBondContact OG-NH1 3.36Å |
| 253 | I | 93.7 | Very high | 90.9 | Very high | 28 Ų | 28 | 45.1 Ų | 45.1 | 14% | 0.144 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 145.3 | -178.5 | -170.3 | 156.3 | 0 | 0 | 0 | 109.9 | F251 H255 I267 R393 C395 | F251-I253 HydrophobicContact CE1-CB 3.79Å; F251-I253 HydrophobicContact CE1-CD1 4.26Å; F251-I253 HydrophobicContact CE1-CG2 4.04Å; F251-I253 HydrophobicContact CZ-CB 3.89Å; F251-I253 HydrophobicContact CZ-CD1 3.94Å; F251-I253 HydrophobicContact CZ-CG1 4.41Å; I253-H255 PolarHBondContact O-N 3.08Å; I253-I267 HydrophobicContact CG2-CD1 3.68Å; I253-R393 HydrophobicContact CD1-CB 4.33Å; I253-R393 VanDerWaalsContact CD1-NH2 3.27Å; I253-R393 HydrophobicContact CG1-CB 4.18Å; I253-C395 HydrophobicContact CB-CB 4.21Å; I253-C395 HydrophobicContact CD1-CB 4.26Å; I253-C395 HydrophobicContact CG1-CB 4.02Å |
| 254 | A | 92.2 | Very high | 90.8 | Very high | 39 Ų | 39 | 45.9 Ų | 45.9 | 32% | 0.322 | 25% | 0.249 | S | C | . | . | trans | -60.1 | 136.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | S256 R393 D394 | A254-S256 PolarHBondContact O-N 3.45Å; A254-R393 PolarHBondContact O-NH1 3.33Å; A254-R393 VanDerWaalsContact O-NH1 3.08Å; A254-D394 HydrophobicContact CB-CB 4.11Å; A254-D394 PolarHBondContact N-O 3.18Å | ||
| 255 | H | 91.5 | Very high | 90.9 | Very high | 116 Ų | 116 | 41.6 Ų | 41.6 | 54% | 0.537 | 23% | 0.234 | S | C | . | . | trans | -62.4 | 128.3 | 178.9 | -175 | 84.4 | 0 | 0 | 0 | 110.6 | I253 N263 | I253-H255 PolarHBondContact O-N 3.08Å; H255-N263 WeakPolarHBondContact CA-OD1 3.29Å | ||
| 256 | S | 92 | Very high | 91.3 | Very high | 3 Ų | 3 | 39.1 Ų | 39.1 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | trans | -108.2 | 133.6 | 179.7 | 169 | 0 | 0 | 0 | 0 | 110.5 | A254 A258 S261 N263 R393 H520 | A254-S256 PolarHBondContact O-N 3.45Å; S256-A258 WeakPolarHBondContact OG-CB 3.46Å; S256-A258 PolarHBondContact OG-N 3.12Å; S256-S261 VanDerWaalsContact CB-OG 3.28Å; S256-S261 WeakPolarHBondContact CB-OG 3.28Å; S256-S261 PolarHBondContact O-OG 3.37Å; S256-S261 WeakPolarHBondContact OG-CB 3.26Å; S256-S261 PolarHBondContact OG-OG 3.4Å; S256-N263 PolarHBondContact N-OD1 2.81Å; S256-N263 PolarHBondContact O-ND2 2.83Å; S256-N263 PolarHBondContact O-OD1 2.68Å; S256-R393 VanDerWaalsContact CB-NH1 3.31Å; S256-H520 WeakPolarHBondContact CA-O 3Å; S256-H520 PolarHBondContact OG-ND1 3.25Å | ||
| 257 | R | 91.2 | Very high | 91.5 | Very high | 152 Ų | 152 | 38.9 Ų | 38.9 | 57% | 0.574 | 22% | 0.221 | S | C | * | . | trans | -96.5 | 0.4 | 172.1 | -64.9 | -179.6 | 176.4 | 107 | 1.1 | 113 | H520 K521 G523 | R257-H520 PolarHBondContact N-O 2.91Å; R257-K521 PolarHBondContact NH1-O 3.01Å; R257-G523 WeakPolarHBondContact O-CA 3.43Å | ||
| 258 | A | 86.6 | Confident | 91.7 | Very high | 10 Ų | 10 | 38.2 Ų | 38.2 | 8% | 0.083 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -65.8 | 145.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | S256 S261 M519 | S256-A258 WeakPolarHBondContact OG-CB 3.46Å; S256-A258 PolarHBondContact OG-N 3.12Å; A258-S261 WeakPolarHBondContact O-CB 3.39Å; A258-S261 PolarHBondContact O-OG 2.96Å; A258-M519 HydrophobicContact CB-CG 3.8Å; A258-M519 HydrophobicContact CB-SD 4.18Å; A258-M519 PolarHBondContact N-O 2.97Å |
| 259 | P | 84 | Confident | 92.1 | Very high | 101 Ų | 101 | 34.7 Ų | 34.7 | 66% | 0.656 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | 147.2 | 172.9 | 28.3 | -34.8 | 0 | 0 | 0 | 110.2 | S261 | P259-S261 VanDerWaalsContact C-N 3.27Å; P259-S261 PolarHBondContact O-N 2.91Å |
| 260 | A | 84 | Confident | 92.4 | Very high | 63 Ų | 63 | 34.4 Ų | 34.4 | 52% | 0.521 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.8 | 43.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y307 | A260-Y307 VanDerWaalsContact C-CD1 3.46Å; A260-Y307 HydrophobicContact CB-CD1 4.09Å; A260-Y307 HydrophobicContact CB-CE1 4.18Å; A260-Y307 VanDerWaalsContact O-CD1 3.27Å; A260-Y307 WeakPolarHBondContact O-CD1 3.47Å |
| 261 | S | 87.6 | Confident | 92.6 | Very high | 24 Ų | 24 | 34.5 Ų | 34.5 | 17% | 0.168 | 20% | 0.2 | C | C | . | . | trans | -111.7 | 141.1 | 173.9 | 63.1 | 0 | 0 | 0 | 0 | 111.4 | S256 A258 P259 | S256-S261 VanDerWaalsContact CB-OG 3.28Å; S256-S261 WeakPolarHBondContact CB-OG 3.28Å; S256-S261 PolarHBondContact O-OG 3.37Å; S256-S261 WeakPolarHBondContact OG-CB 3.26Å; S256-S261 PolarHBondContact OG-OG 3.4Å; A258-S261 WeakPolarHBondContact O-CB 3.39Å; A258-S261 PolarHBondContact O-OG 2.96Å; P259-S261 VanDerWaalsContact C-N 3.27Å; P259-S261 PolarHBondContact O-N 2.91Å | ||
| 262 | I | 92.4 | Very high | 92.7 | Very high | 4 Ų | 4 | 34.5 Ų | 34.5 | 2% | 0.021 | 20% | 0.199 | C | C | . | . | trans | -85.7 | 138.2 | 174.5 | -170.4 | 167.7 | 0 | 0 | 0 | 110.9 | L266 I267 Y307 W312 R393 | I262-L266 HydrophobicContact CD1-CD2 4.24Å; I262-L266 HydrophobicContact CD1-CG 4.44Å; I262-L266 HydrophobicContact CG1-CB 4.41Å; I262-L266 HydrophobicContact CG1-CD2 4.2Å; I262-I267 HydrophobicContact CD1-CD1 4.25Å; I262-I267 HydrophobicContact CD1-CG1 3.58Å; I262-I267 HydrophobicContact CG1-CD1 4.07Å; I262-I267 HydrophobicContact CG1-CG1 3.72Å; I262-Y307 HydrophobicContact CB-CD2 4.43Å; I262-Y307 HydrophobicContact CB-CG 4.43Å; I262-W312 HydrophobicContact CD1-CD2 3.39Å; I262-W312 HydrophobicContact CD1-CE3 3.48Å; I262-W312 VanDerWaalsContact CD1-CE3 3.48Å; I262-W312 HydrophobicContact CD1-CG 4.09Å; I262-W312 HydrophobicContact CD1-CH2 3.39Å; I262-W312 HydrophobicContact CD1-CZ2 3.35Å; I262-W312 HydrophobicContact CD1-CZ3 3.48Å; I262-W312 VanDerWaalsContact CD1-CZ3 3.48Å; I262-R393 PolarHBondContact O-NH1 2.95Å; I262-R393 PolarHBondContact O-NH2 2.84Å | ||
| 263 | N | 93.4 | Very high | 92.9 | Very high | 21 Ų | 21 | 32.2 Ų | 32.2 | 11% | 0.112 | 18% | 0.183 | C | C | . | . | trans | -122.3 | 166.4 | -178.1 | -76.6 | -49.8 | 0 | 0 | 0 | 111.3 | H255 S256 D265 L266 I267 | H255-N263 WeakPolarHBondContact CA-OD1 3.29Å; S256-N263 PolarHBondContact N-OD1 2.81Å; S256-N263 PolarHBondContact O-ND2 2.83Å; S256-N263 PolarHBondContact O-OD1 2.68Å; N263-D265 WeakPolarHBondContact CB-OD1 3.23Å; N263-D265 PolarHBondContact O-N 3.49Å; N263-D265 VanDerWaalsContact O-N 3.15Å; N263-L266 PolarHBondContact O-N 3.44Å; N263-I267 WeakPolarHBondContact O-CG1 3.27Å; N263-I267 PolarHBondContact O-N 3.38Å | ||
| 264 | G | 93 | Very high | 93 | Very high | 16 Ų | 16 | 31 Ų | 31 | 17% | 0.165 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.3 | -26.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | I267 N268 | G264-I267 PolarHBondContact O-N 3.06Å; G264-N268 WeakPolarHBondContact O-CB 3.28Å; G264-N268 PolarHBondContact O-N 3.28Å; G264-N268 PolarHBondContact O-ND2 3.35Å |
| 265 | D | 93 | Very high | 93.2 | Very high | 63 Ų | 63 | 29.1 Ų | 29.1 | 34% | 0.337 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -67.6 | -48.4 | -179.4 | 70.9 | -43 | 0 | 0 | 0 | 111.6 | W54 N263 A269 | W54-D265 VanDerWaalsContact CH2-C 3.49Å; W54-D265 HydrophobicContact CH2-CB 3.7Å; W54-D265 WeakPolarHBondContact CH2-O 3.37Å; W54-D265 HydrophobicContact CZ2-CB 4.49Å; N263-D265 WeakPolarHBondContact CB-OD1 3.23Å; N263-D265 PolarHBondContact O-N 3.49Å; N263-D265 VanDerWaalsContact O-N 3.15Å; D265-A269 VanDerWaalsContact O-CB 3.25Å; D265-A269 WeakPolarHBondContact O-CB 3.3Å; D265-A269 PolarHBondContact O-N 2.93Å |
| 266 | L | 95.1 | Very high | 93.5 | Very high | 23 Ų | 23 | 23.6 Ų | 23.6 | 12% | 0.12 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -69.2 | -38.1 | 173.4 | 179.6 | 59.1 | 0 | 0 | 0 | 112.3 | I262 N263 T270 Y307 W312 L315 | I262-L266 HydrophobicContact CD1-CD2 4.24Å; I262-L266 HydrophobicContact CD1-CG 4.44Å; I262-L266 HydrophobicContact CG1-CB 4.41Å; I262-L266 HydrophobicContact CG1-CD2 4.2Å; N263-L266 PolarHBondContact O-N 3.44Å; L266-T270 WeakPolarHBondContact O-CB 3.49Å; L266-T270 PolarHBondContact O-N 2.95Å; L266-T270 PolarHBondContact O-OG1 2.96Å; L266-Y307 HydrophobicContact CD2-CE2 4.15Å; L266-W312 HydrophobicContact CD2-CB 4.33Å; L266-W312 HydrophobicContact CG-CE3 4.34Å; L266-L315 HydrophobicContact CD1-CD1 3.94Å |
| 267 | I | 96.5 | Very high | 93.6 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.4 | -53.2 | 178.3 | -69.2 | 166.8 | 0 | 0 | 0 | 110 | F251 I253 I262 N263 G264 A269 T270 I271 L305 W312 F372 | F251-I267 HydrophobicContact CD1-CD1 4.01Å; F251-I267 HydrophobicContact CD1-CG2 4.17Å; F251-I267 HydrophobicContact CE1-CD1 3.83Å; I253-I267 HydrophobicContact CG2-CD1 3.68Å; I262-I267 HydrophobicContact CD1-CD1 4.25Å; I262-I267 HydrophobicContact CD1-CG1 3.58Å; I262-I267 HydrophobicContact CG1-CD1 4.07Å; I262-I267 HydrophobicContact CG1-CG1 3.72Å; N263-I267 WeakPolarHBondContact O-CG1 3.27Å; N263-I267 PolarHBondContact O-N 3.38Å; G264-I267 PolarHBondContact O-N 3.06Å; I267-A269 VanDerWaalsContact C-N 3.35Å; I267-A269 PolarHBondContact O-N 3.26Å; I267-T270 PolarHBondContact O-N 3.27Å; I267-I271 HydrophobicContact CG2-CD1 3.73Å; I267-I271 VanDerWaalsContact O-CG1 3.3Å; I267-I271 WeakPolarHBondContact O-CG1 3.26Å; I267-I271 PolarHBondContact O-N 2.92Å; I267-L305 HydrophobicContact CD1-CD2 4.24Å; I267-W312 HydrophobicContact CG1-CH2 4.11Å; I267-W312 HydrophobicContact CG1-CZ3 4.39Å; I267-F372 HydrophobicContact CG2-CE2 4.01Å; I267-F372 HydrophobicContact CG2-CZ 3.99Å |
| 268 | N | 96.8 | Very high | 93.7 | Very high | 5 Ų | 5 | 16.7 Ų | 16.7 | 3% | 0.027 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -66 | -38.7 | -178 | -72.9 | -11.5 | 0 | 0 | 0 | 111.7 | G36 D37 F111 W247 G264 I271 Y272 | G36-N268 WeakPolarHBondContact O-CB 3.25Å; G36-N268 PolarHBondContact O-ND2 3.46Å; D37-N268 PolarHBondContact OD1-ND2 3.15Å; F111-N268 HydrophobicContact CD2-CB 3.97Å; W247-N268 HydrophobicContact CH2-CB 4.06Å; W247-N268 HydrophobicContact CZ3-CB 4.5Å; G264-N268 WeakPolarHBondContact O-CB 3.28Å; G264-N268 PolarHBondContact O-N 3.28Å; G264-N268 PolarHBondContact O-ND2 3.35Å; N268-I271 PolarHBondContact O-N 3.48Å; N268-Y272 VanDerWaalsContact O-CB 3.3Å; N268-Y272 WeakPolarHBondContact O-CB 3.36Å; N268-Y272 PolarHBondContact O-N 3.29Å |
| 269 | A | 97.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -59.1 | -47.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | W54 F111 D265 I267 Y272 Y273 L315 | W54-A269 HydrophobicContact CD2-CB 3.91Å; W54-A269 HydrophobicContact CE3-CB 4.03Å; W54-A269 HydrophobicContact CH2-CB 4.36Å; W54-A269 HydrophobicContact CZ2-CB 4.2Å; W54-A269 HydrophobicContact CZ3-CB 4.27Å; F111-A269 HydrophobicContact CE1-CB 4.15Å; F111-A269 HydrophobicContact CE2-CB 3.87Å; F111-A269 HydrophobicContact CZ-CB 3.53Å; D265-A269 VanDerWaalsContact O-CB 3.25Å; D265-A269 WeakPolarHBondContact O-CB 3.3Å; D265-A269 PolarHBondContact O-N 2.93Å; I267-A269 VanDerWaalsContact C-N 3.35Å; I267-A269 PolarHBondContact O-N 3.26Å; A269-Y272 WeakPolarHBondContact O-CB 3.25Å; A269-Y272 PolarHBondContact O-N 2.93Å; A269-Y273 HydrophobicContact CB-CE2 4.39Å; A269-Y273 WeakPolarHBondContact O-CD2 3.3Å; A269-Y273 PolarHBondContact O-N 3.15Å; A269-L315 HydrophobicContact CB-CD1 4.07Å |
| 270 | T | 97.4 | Very high | 93.9 | Very high | 2 Ų | 2 | 12.7 Ų | 12.7 | 1% | 0.012 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -60.9 | -48.7 | 179 | -56.4 | 0 | 0 | 0 | 0 | 111.1 | L266 I267 Y272 Y273 L274 W312 T324 W328 | L266-T270 WeakPolarHBondContact O-CB 3.49Å; L266-T270 PolarHBondContact O-N 2.95Å; L266-T270 PolarHBondContact O-OG1 2.96Å; I267-T270 PolarHBondContact O-N 3.27Å; T270-Y272 VanDerWaalsContact C-N 3.28Å; T270-Y272 PolarHBondContact O-N 3.34Å; T270-Y273 PolarHBondContact O-N 2.9Å; T270-L274 HydrophobicContact CG2-CD1 4.12Å; T270-L274 VanDerWaalsContact O-CG 3.27Å; T270-L274 WeakPolarHBondContact O-CG 3.27Å; T270-L274 PolarHBondContact O-N 2.66Å; T270-W312 HydrophobicContact CG2-CE3 4.23Å; T270-W312 HydrophobicContact CG2-CZ3 3.93Å; T270-T324 HydrophobicContact CG2-CG2 4.31Å; T270-W328 HydrophobicContact CG2-CZ2 4.26Å |
| 271 | I | 97.4 | Very high | 93.3 | Very high | 3 Ų | 3 | 11.4 Ų | 11.4 | 2% | 0.015 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -57.4 | -42.9 | 175.3 | -66.6 | 165.8 | 0 | 0 | 0 | 110.8 | W247 I267 N268 Y273 L274 L275 M365 V368 F372 | W247-I271 HydrophobicContact CH2-CB 3.72Å; W247-I271 HydrophobicContact CH2-CD1 4.31Å; W247-I271 HydrophobicContact CH2-CG2 3.44Å; W247-I271 VanDerWaalsContact CH2-CG2 3.44Å; W247-I271 HydrophobicContact CZ2-CB 4.33Å; W247-I271 HydrophobicContact CZ2-CG2 3.78Å; W247-I271 HydrophobicContact CZ3-CB 4.36Å; W247-I271 HydrophobicContact CZ3-CD1 4.18Å; W247-I271 HydrophobicContact CZ3-CG2 3.91Å; I267-I271 HydrophobicContact CG2-CD1 3.73Å; I267-I271 VanDerWaalsContact O-CG1 3.3Å; I267-I271 WeakPolarHBondContact O-CG1 3.26Å; I267-I271 PolarHBondContact O-N 2.92Å; N268-I271 PolarHBondContact O-N 3.48Å; I271-Y273 PolarHBondContact O-N 2.88Å; I271-L274 WeakPolarHBondContact O-CB 3.44Å; I271-L274 PolarHBondContact O-N 3.25Å; I271-L275 HydrophobicContact CG2-CD1 3.7Å; I271-L275 HydrophobicContact CG2-CG 4.06Å; I271-L275 WeakPolarHBondContact O-CB 3.45Å; I271-L275 VanDerWaalsContact O-CG 3.3Å; I271-L275 WeakPolarHBondContact O-CG 3.26Å; I271-L275 PolarHBondContact O-N 3.41Å; I271-M365 HydrophobicContact CD1-CE 4.31Å; I271-M365 HydrophobicContact CG2-CE 3.92Å; I271-M365 HydrophobicContact CG2-SD 3.5Å; I271-M365 VanDerWaalsContact CG2-SD 3.5Å; I271-V368 HydrophobicContact CG1-CG1 4.13Å; I271-F372 HydrophobicContact CD1-CE2 3.99Å; I271-F372 HydrophobicContact CD1-CZ 4.38Å; I271-F372 HydrophobicContact CG1-CE2 4.45Å; I271-F372 HydrophobicContact CG1-CZ 4.45Å |
| 272 | Y | 98.1 | Very high | 92 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -59.4 | -47.3 | 178.5 | 170.4 | -103.3 | 0 | 0 | 0 | 113 | F57 T109 F111 W243 N268 A269 T270 L274 L275 S276 | F57-Y272 WeakPolarHBondContact O-CE1 3.47Å; F57-Y272 PolarHBondContact O-OH 2.91Å; T109-Y272 HydrophobicContact CG2-CD1 4.34Å; T109-Y272 HydrophobicContact CG2-CE1 3.74Å; F111-Y272 HydrophobicContact CB-CD2 4.17Å; F111-Y272 HydrophobicContact CB-CG 4.17Å; F111-Y272 AromaticContact CD1-CD1 3.6Å; F111-Y272 HydrophobicContact CD1-CD1 3.6Å; F111-Y272 AromaticContact CD1-CD2 4Å; F111-Y272 HydrophobicContact CD1-CD2 4Å; F111-Y272 HydrophobicContact CD1-CE1 4.29Å; F111-Y272 AromaticContact CD1-CG 3.43Å; F111-Y272 HydrophobicContact CD1-CG 3.43Å; F111-Y272 VanDerWaalsContact CD1-CG 3.43Å; F111-Y272 AromaticContact CE1-CD1 3.95Å; F111-Y272 HydrophobicContact CE1-CD1 3.95Å; F111-Y272 HydrophobicContact CE1-CG 4.21Å; F111-Y272 HydrophobicContact CG-CG 4.17Å; F111-Y272 WeakPolarHBondContact O-CD2 3.44Å; W243-Y272 AromaticContact CH2-CD2 3.82Å; W243-Y272 HydrophobicContact CH2-CD2 3.82Å; W243-Y272 AromaticContact CH2-CE2 3.89Å; W243-Y272 HydrophobicContact CH2-CE2 3.89Å; W243-Y272 HydrophobicContact CZ2-CE2 4.34Å; W243-Y272 HydrophobicContact CZ3-CD2 4.02Å; W243-Y272 HydrophobicContact CZ3-CE2 4.41Å; N268-Y272 VanDerWaalsContact O-CB 3.3Å; N268-Y272 WeakPolarHBondContact O-CB 3.36Å; N268-Y272 PolarHBondContact O-N 3.29Å; A269-Y272 WeakPolarHBondContact O-CB 3.25Å; A269-Y272 PolarHBondContact O-N 2.93Å; T270-Y272 VanDerWaalsContact C-N 3.28Å; T270-Y272 PolarHBondContact O-N 3.34Å; Y272-L274 VanDerWaalsContact C-N 3.33Å; Y272-L275 PolarHBondContact O-N 3.32Å; Y272-S276 VanDerWaalsContact O-CB 3.3Å; Y272-S276 WeakPolarHBondContact O-CB 3.2Å; Y272-S276 PolarHBondContact O-N 3.3Å; Y272-S276 PolarHBondContact O-OG 3Å |
| 273 | Y | 97.9 | Very high | 90.2 | Very high | 2 Ų | 2 | 20.4 Ų | 20.4 | 1% | 0.008 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -67 | -36.5 | 177.8 | -68.8 | -68.6 | 0 | 0 | 0 | 112.4 | L55 F57 A269 T270 I271 S276 S277 L315 I321 | L55-Y273 PolarHBondContact N-OH 3.38Å; L55-Y273 PolarHBondContact O-OH 3.01Å; F57-Y273 HydrophobicContact CB-CD1 4.26Å; F57-Y273 HydrophobicContact CB-CE1 3.67Å; F57-Y273 AromaticContact CD1-CD1 3.91Å; F57-Y273 HydrophobicContact CD1-CD1 3.91Å; F57-Y273 HydrophobicContact CD1-CE1 4.2Å; F57-Y273 HydrophobicContact CE1-CD1 4.49Å; F57-Y273 HydrophobicContact CG-CD1 4.2Å; F57-Y273 HydrophobicContact CG-CE1 4.08Å; A269-Y273 HydrophobicContact CB-CE2 4.39Å; A269-Y273 WeakPolarHBondContact O-CD2 3.3Å; A269-Y273 PolarHBondContact O-N 3.15Å; T270-Y273 PolarHBondContact O-N 2.9Å; I271-Y273 PolarHBondContact O-N 2.88Å; Y273-S276 PolarHBondContact O-N 3.13Å; Y273-S277 PolarHBondContact O-N 3.3Å; Y273-S277 PolarHBondContact O-OG 3.35Å; Y273-L315 HydrophobicContact CD2-CB 4.24Å; Y273-L315 HydrophobicContact CD2-CD1 3.79Å; Y273-L315 HydrophobicContact CD2-CD2 3.85Å; Y273-L315 HydrophobicContact CD2-CG 4.17Å; Y273-L315 HydrophobicContact CE2-CB 3.74Å; Y273-L315 HydrophobicContact CE2-CD1 3.82Å; Y273-L315 HydrophobicContact CE2-CD2 4.23Å; Y273-L315 HydrophobicContact CE2-CG 4.14Å; Y273-I321 HydrophobicContact CD1-CB 4.48Å; Y273-I321 HydrophobicContact CD1-CD1 3.8Å; Y273-I321 HydrophobicContact CD1-CG1 3.96Å; Y273-I321 HydrophobicContact CD1-CG2 3.67Å; Y273-I321 HydrophobicContact CD2-CG1 4.45Å; Y273-I321 HydrophobicContact CE1-CD1 3.32Å; Y273-I321 HydrophobicContact CE1-CG1 3.89Å; Y273-I321 HydrophobicContact CE1-CG2 4.36Å; Y273-I321 HydrophobicContact CE2-CD1 4.48Å; Y273-I321 HydrophobicContact CE2-CG1 4.44Å; Y273-I321 HydrophobicContact CG-CG1 4.24Å; Y273-I321 HydrophobicContact CG-CG2 3.98Å |
| 274 | L | 96.8 | Very high | 88.3 | Confident | 2 Ų | 2 | 21 Ų | 21 | 1% | 0.01 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -59.8 | -57.8 | 171.7 | -70.6 | 173.2 | 0 | 0 | 0 | 109.9 | T270 I271 Y272 S276 S277 Y278 V325 W328 L364 V368 | T270-L274 HydrophobicContact CG2-CD1 4.12Å; T270-L274 VanDerWaalsContact O-CG 3.27Å; T270-L274 WeakPolarHBondContact O-CG 3.27Å; T270-L274 PolarHBondContact O-N 2.66Å; I271-L274 WeakPolarHBondContact O-CB 3.44Å; I271-L274 PolarHBondContact O-N 3.25Å; Y272-L274 VanDerWaalsContact C-N 3.33Å; L274-S276 VanDerWaalsContact C-N 3.26Å; L274-S276 PolarHBondContact O-N 3.02Å; L274-S277 WeakPolarHBondContact O-CA 3.3Å; L274-S277 WeakPolarHBondContact O-CB 3.3Å; L274-S277 PolarHBondContact O-N 3.01Å; L274-Y278 VanDerWaalsContact O-CD2 3.26Å; L274-Y278 WeakPolarHBondContact O-CD2 3.42Å; L274-Y278 PolarHBondContact O-N 3.46Å; L274-V325 HydrophobicContact CD2-CB 4.31Å; L274-V325 HydrophobicContact CD2-CG1 4.33Å; L274-V325 HydrophobicContact CD2-CG2 4.14Å; L274-W328 HydrophobicContact CD1-CB 4.19Å; L274-W328 HydrophobicContact CD1-CD2 3.87Å; L274-W328 HydrophobicContact CD1-CE3 4.21Å; L274-W328 HydrophobicContact CD1-CG 3.85Å; L274-W328 HydrophobicContact CD2-CB 3.5Å; L274-W328 VanDerWaalsContact CD2-CB 3.5Å; L274-W328 HydrophobicContact CD2-CG 3.87Å; L274-W328 HydrophobicContact CG-CB 4.48Å; L274-W328 HydrophobicContact CG-CG 4.42Å; L274-L364 HydrophobicContact CB-CD2 3.8Å; L274-V368 HydrophobicContact CD1-CG2 3.99Å |
| 275 | L | 96 | Very high | 86.1 | Confident | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -57.8 | -38.1 | 179.3 | -68.4 | 176.1 | 0 | 0 | 0 | 112.2 | R139 W243 L246 W247 I271 Y272 S277 Y278 A361 L364 M365 | R139-L275 VanDerWaalsContact CZ-O 3.24Å; R139-L275 PolarHBondContact NH1-O 2.92Å; R139-L275 PolarHBondContact NH2-O 3.03Å; W243-L275 HydrophobicContact CH2-CB 3.91Å; W243-L275 HydrophobicContact CZ3-CB 3.86Å; W243-L275 HydrophobicContact CZ3-CD1 3.93Å; L246-L275 HydrophobicContact CB-CD1 4.37Å; W247-L275 HydrophobicContact CZ2-CD1 4.32Å; I271-L275 HydrophobicContact CG2-CD1 3.7Å; I271-L275 HydrophobicContact CG2-CG 4.06Å; I271-L275 WeakPolarHBondContact O-CB 3.45Å; I271-L275 VanDerWaalsContact O-CG 3.3Å; I271-L275 WeakPolarHBondContact O-CG 3.26Å; I271-L275 PolarHBondContact O-N 3.41Å; Y272-L275 PolarHBondContact O-N 3.32Å; L275-S277 PolarHBondContact O-N 3.27Å; L275-S277 VanDerWaalsContact O-N 3.14Å; L275-Y278 PolarHBondContact O-N 3.37Å; L275-A361 HydrophobicContact CD2-CB 4.01Å; L275-A361 VanDerWaalsContact CD2-O 3.25Å; L275-A361 WeakPolarHBondContact CD2-O 3.38Å; L275-L364 HydrophobicContact CD2-CD2 4.35Å; L275-M365 HydrophobicContact CD1-SD 4.21Å; L275-M365 HydrophobicContact CD2-CB 4.26Å; L275-M365 HydrophobicContact CD2-SD 4.48Å |
| 276 | S | 96.8 | Very high | 84 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.3 | -19.3 | 176.2 | -61.7 | 0 | 0 | 0 | 0 | 113.5 | G59 N60 G61 Y272 Y273 L274 | G59-S276 CarbonylContact C-O 3.57Å; G59-S276 WeakPolarHBondContact CA-O 3.43Å; G59-S276 WeakPolarHBondContact O-CA 3.37Å; N60-S276 PolarHBondContact N-O 3.09Å; G61-S276 PolarHBondContact N-O 2.98Å; Y272-S276 VanDerWaalsContact O-CB 3.3Å; Y272-S276 WeakPolarHBondContact O-CB 3.2Å; Y272-S276 PolarHBondContact O-N 3.3Å; Y272-S276 PolarHBondContact O-OG 3Å; Y273-S276 PolarHBondContact O-N 3.13Å; L274-S276 VanDerWaalsContact C-N 3.26Å; L274-S276 PolarHBondContact O-N 3.02Å |
| 277 | S | 94.8 | Very high | 81.7 | Confident | 3 Ų | 3 | 28.5 Ų | 28.5 | 2% | 0.021 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -96.9 | -6.5 | -179.1 | -53.7 | 0 | 0 | 0 | 0 | 114.4 | G61 K76 Y273 L274 L275 | G61-S277 VanDerWaalsContact CA-C 3.45Å; G61-S277 WeakPolarHBondContact CA-O 3.33Å; K76-S277 PolarHBondContact NZ-O 2.91Å; Y273-S277 PolarHBondContact O-N 3.3Å; Y273-S277 PolarHBondContact O-OG 3.35Å; L274-S277 WeakPolarHBondContact O-CA 3.3Å; L274-S277 WeakPolarHBondContact O-CB 3.3Å; L274-S277 PolarHBondContact O-N 3.01Å; L275-S277 PolarHBondContact O-N 3.27Å; L275-S277 VanDerWaalsContact O-N 3.14Å |
| 278 | Y | 92.9 | Very high | 79.2 | Confident | 6 Ų | 6 | 35.4 Ų | 35.4 | 2% | 0.024 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -121.8 | 136.5 | -178.7 | -73.1 | -104.7 | 0 | 0 | 0 | 111.7 | R139 L274 L275 V325 N329 V341 L364 | R139-Y278 PolarHBondContact NH1-O 2.94Å; R139-Y278 PolarHBondContact NH2-O 2.91Å; L274-Y278 VanDerWaalsContact O-CD2 3.26Å; L274-Y278 WeakPolarHBondContact O-CD2 3.42Å; L274-Y278 PolarHBondContact O-N 3.46Å; L275-Y278 PolarHBondContact O-N 3.37Å; Y278-V325 HydrophobicContact CE2-CG1 4.39Å; Y278-N329 WeakPolarHBondContact OH-CB 3.45Å; Y278-N329 PolarHBondContact OH-OD1 3.49Å; Y278-V341 HydrophobicContact CE1-CG1 3.53Å; Y278-V341 VanDerWaalsContact CE1-O 3.25Å; Y278-V341 WeakPolarHBondContact CE1-O 3.41Å; Y278-V341 WeakPolarHBondContact OH-CG1 3.49Å; Y278-L364 HydrophobicContact CD1-CD2 4.38Å; Y278-L364 HydrophobicContact CD2-CD1 4.43Å; Y278-L364 HydrophobicContact CD2-CD2 3.26Å; Y278-L364 HydrophobicContact CD2-CG 4.36Å; Y278-L364 HydrophobicContact CE1-CD1 4.49Å; Y278-L364 HydrophobicContact CE2-CD1 4.04Å; Y278-L364 HydrophobicContact CE2-CD2 3.64Å; Y278-L364 HydrophobicContact CE2-CG 4.44Å; Y278-L364 HydrophobicContact CG-CD2 3.66Å |
| 279 | P | 90.1 | Very high | 76.6 | Confident | 5 Ų | 5 | 37.7 Ų | 37.7 | 3% | 0.032 | 21% | 0.207 | C | C | . | . | P | Polyproline II helix | trans | -75.4 | 153.5 | -176.1 | 31.2 | -35.6 | 0 | 0 | 0 | 112.7 | N60 H62 S343 G360 A361 | N60-P279 VanDerWaalsContact O-CA 3.3Å; N60-P279 WeakPolarHBondContact O-CA 3.45Å; H62-P279 WeakPolarHBondContact NE2-CB 3.46Å; P279-S343 VanDerWaalsContact CD-OG 3.28Å; P279-S343 WeakPolarHBondContact CD-OG 3.3Å; P279-G360 WeakPolarHBondContact O-CA 3.27Å; P279-A361 PolarHBondContact O-N 2.86Å |
| 280 | L | 85.4 | Confident | 74.2 | Confident | 22 Ų | 22 | 39 Ų | 39 | 12% | 0.115 | 22% | 0.215 | C | C | . | . | P | Polyproline II helix | trans | -85.8 | 128.4 | 164.1 | -169.9 | 72.6 | 0 | 0 | 0 | 108.3 | R139 V140 A242 L246 Q284 | R139-L280 HydrophobicContact CG-CB 4.35Å; R139-L280 HydrophobicContact CG-CD2 4.28Å; V140-L280 HydrophobicContact CG2-CD2 4.27Å; A242-L280 HydrophobicContact CB-CD2 3.99Å; L246-L280 HydrophobicContact CD2-CD1 4.19Å; L280-Q284 HydrophobicContact CD1-CB 4.03Å; L280-Q284 HydrophobicContact CG-CB 4.37Å |
| 281 | R | 71.2 | Confident | 71.8 | Confident | 37 Ų | 37 | 40 Ų | 40 | 14% | 0.14 | 22% | 0.22 | C | C | . | . | P | Polyproline II helix | trans | -88.8 | 150.5 | -179 | -77 | -162.5 | 174.1 | 101 | -6.8 | 112.4 | N283 Q284 F342 S343 G344 T358 | R281-N283 VanDerWaalsContact C-N 3.29Å; R281-N283 PolarHBondContact O-N 3.21Å; R281-Q284 WeakPolarHBondContact O-CA 3.48Å; R281-Q284 WeakPolarHBondContact O-CB 3.17Å; R281-Q284 PolarHBondContact O-N 2.96Å; R281-F342 PolarHBondContact NH1-O 3.1Å; R281-F342 PolarHBondContact NH2-O 3.21Å; R281-S343 PolarHBondContact NH2-O 3.46Å; R281-S343 VanDerWaalsContact NH2-O 3.13Å; R281-G344 PolarHBondContact NH2-O 2.88Å; R281-T358 WeakPolarHBondContact CD-O 3.28Å; R281-T358 PolarHBondContact NE-OG1 3.39Å; R281-T358 PolarHBondContact NH1-O 3.05Å; R281-T358 PolarHBondContact NH1-OG1 3.32Å; R281-T358 PolarHBondContact NH2-OG1 3.31Å |
| 282 | P | 59.5 | Low | 69.5 | Low | 104 Ų | 104 | 41 Ų | 41 | 68% | 0.675 | 23% | 0.228 | S | C | * | . | G | 310 helix | trans | -54.5 | -36.4 | -176.1 | -27.2 | 34.4 | 0 | 0 | 0 | 115.1 | Q284 V285 | P282-Q284 PolarHBondContact O-N 3.4Å; P282-Q284 VanDerWaalsContact O-N 3.12Å; P282-V285 VanDerWaalsContact O-CB 3.22Å; P282-V285 WeakPolarHBondContact O-CB 3.22Å; P282-V285 WeakPolarHBondContact O-CG2 3.19Å; P282-V285 PolarHBondContact O-N 3.03Å |
| 283 | N | 54.7 | Low | 67.5 | Low | 113 Ų | 113 | 42.9 Ų | 42.9 | 60% | 0.604 | 24% | 0.243 | S | C | * | . | G | 310 helix | trans | -65.5 | -15.6 | 177.9 | -120.1 | 14 | 0 | 0 | 0 | 113.1 | R281 V289 | R281-N283 VanDerWaalsContact C-N 3.29Å; R281-N283 PolarHBondContact O-N 3.21Å; N283-V289 WeakPolarHBondContact O-CB 3.06Å |
| 284 | Q | 53 | Low | 65.8 | Low | 34 Ų | 34 | 45.3 Ų | 45.3 | 16% | 0.159 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -93.5 | -5.4 | 173.2 | -51.5 | -164.4 | -54.8 | 0 | 0 | 113 | L280 R281 P282 N286 A362 | L280-Q284 HydrophobicContact CD1-CB 4.03Å; L280-Q284 HydrophobicContact CG-CB 4.37Å; R281-Q284 WeakPolarHBondContact O-CA 3.48Å; R281-Q284 WeakPolarHBondContact O-CB 3.17Å; R281-Q284 PolarHBondContact O-N 2.96Å; P282-Q284 PolarHBondContact O-N 3.4Å; P282-Q284 VanDerWaalsContact O-N 3.12Å; Q284-N286 VanDerWaalsContact C-N 3.3Å; Q284-A362 VanDerWaalsContact NE2-CB 3.29Å |
| 285 | V | 48.7 | Very low | 64.3 | Low | 60 Ų | 60 | 45.9 Ų | 45.9 | 36% | 0.364 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -26.5 | 175.5 | -177.1 | 0 | 0 | 0 | 0 | 110.6 | V140 P282 L287 | V140-V285 HydrophobicContact CG1-CG1 3.72Å; V140-V285 HydrophobicContact CG1-CG2 3.93Å; P282-V285 VanDerWaalsContact O-CB 3.22Å; P282-V285 WeakPolarHBondContact O-CB 3.22Å; P282-V285 WeakPolarHBondContact O-CG2 3.19Å; P282-V285 PolarHBondContact O-N 3.03Å; V285-L287 PolarHBondContact O-N 2.79Å |
| 286 | N | 48.3 | Very low | 63 | Low | 115 Ų | 115 | 53.5 Ų | 53.5 | 62% | 0.615 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -68.4 | 92.6 | 157.8 | -74.6 | -16.2 | 0 | 0 | 0 | 107.3 | Q284 N288 V289 | Q284-N286 VanDerWaalsContact C-N 3.3Å; N286-N288 PolarHBondContact O-N 3.14Å; N286-V289 HydrophobicContact CB-CG2 3.55Å; N286-V289 WeakPolarHBondContact O-CG2 3.28Å; N286-V289 PolarHBondContact O-N 3.42Å |
| 287 | L | 47.2 | Very low | 62.4 | Low | 84 Ų | 84 | 58.4 Ų | 58.4 | 44% | 0.44 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -4.8 | -171.5 | -66.2 | 160.1 | 0 | 0 | 0 | 116 | Q245 V285 | Q245-L287 HydrophobicContact CG-CD2 4.01Å; Q245-L287 PolarHBondContact NE2-O 2.77Å; V285-L287 PolarHBondContact O-N 2.79Å |
| 288 | N | 42.5 | Very low | 62 | Low | 146 Ų | 146 | 58.3 Ų | 58.3 | 78% | 0.781 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.6 | 5.8 | -179.8 | -67.2 | 13.2 | 0 | 0 | 0 | 113.6 | N286 P290 | N286-N288 PolarHBondContact O-N 3.14Å; N288-P290 WeakPolarHBondContact O-CD 3.38Å |
| 289 | V | 42.5 | Very low | 61.9 | Low | 53 Ų | 53 | 58.1 Ų | 58.1 | 32% | 0.321 | 31% | 0.313 | S | S | . | . | trans | -86.2 | 110 | -177.7 | -179.8 | 0 | 0 | 0 | 0 | 110.1 | N283 N286 | N283-V289 WeakPolarHBondContact O-CB 3.06Å; N286-V289 HydrophobicContact CB-CG2 3.55Å; N286-V289 WeakPolarHBondContact O-CG2 3.28Å; N286-V289 PolarHBondContact O-N 3.42Å | ||
| 290 | P | 46.2 | Very low | 61.7 | Low | 28 Ų | 28 | 61 Ų | 61 | 18% | 0.182 | 33% | 0.333 | C | S | . | . | trans | -67 | 146.9 | 174.5 | -11.7 | 29.2 | 0 | 0 | 0 | 109.9 | N288 S292 K404 G405 | N288-P290 WeakPolarHBondContact O-CD 3.38Å; P290-S292 PolarHBondContact O-N 2.8Å; P290-S292 PolarHBondContact O-OG 3Å; P290-K404 HydrophobicContact CB-CG 4.02Å; P290-K404 HydrophobicContact CG-CG 4.02Å; P290-G405 VanDerWaalsContact CB-N 3.32Å | ||
| 291 | I | 48.7 | Very low | 62 | Low | 21 Ų | 21 | 61 Ų | 61 | 11% | 0.108 | 34% | 0.335 | C | S | . | . | trans | -50 | 116 | 172.6 | -62.9 | 163.5 | 0 | 0 | 0 | 107.7 | A293 L340 A362 Q366 | I291-A293 PolarHBondContact O-N 3.13Å; I291-L340 HydrophobicContact CG2-CD2 4.5Å; I291-A362 HydrophobicContact CD1-CB 3.78Å; I291-A362 WeakPolarHBondContact CD1-O 3.45Å; I291-A362 HydrophobicContact CG1-CB 4.13Å; I291-Q366 HydrophobicContact CD1-CG 3.5Å; I291-Q366 VanDerWaalsContact CD1-CG 3.5Å | ||
| 292 | S | 49 | Very low | 62.9 | Low | 25 Ų | 25 | 64.6 Ų | 64.6 | 18% | 0.175 | 35% | 0.353 | C | S | . | . | trans | -91.8 | 11.7 | -154 | -88.6 | 0 | 0 | 0 | 0 | 117.3 | P290 K404 | P290-S292 PolarHBondContact O-N 2.8Å; P290-S292 PolarHBondContact O-OG 3Å; S292-K404 WeakPolarHBondContact OG-CD 3.1Å; S292-K404 VanDerWaalsContact OG-CE 3.31Å; S292-K404 WeakPolarHBondContact OG-CE 3.49Å; S292-K404 PolarHBondContact OG-NZ 2.74Å | ||
| 293 | A | 55 | Low | 64.6 | Low | 40 Ų | 40 | 59.9 Ų | 59.9 | 33% | 0.331 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -142.6 | 139.8 | 162.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | I291 P295 I357 | I291-A293 PolarHBondContact O-N 3.13Å; A293-P295 WeakPolarHBondContact O-CD 3.36Å; A293-I357 HydrophobicContact CB-CB 4.4Å; A293-I357 HydrophobicContact CB-CD1 3.19Å; A293-I357 HydrophobicContact CB-CG1 4.31Å; A293-I357 HydrophobicContact CB-CG2 4.2Å |
| 294 | R | 62.1 | Low | 66.4 | Low | 53 Ų | 53 | 54.7 Ų | 54.7 | 20% | 0.2 | 30% | 0.295 | C | S | . | . | trans | -52.8 | 115.6 | 159.3 | -177.4 | 175.1 | -74.2 | 179.7 | -3 | 107.9 | H296 H377 T378 A379 V403 D489 | R294-H296 PolarHBondContact O-N 3.32Å; R294-H377 VanDerWaalsContact CG-CE1 3.43Å; R294-H377 WeakPolarHBondContact CG-CE1 3.36Å; R294-T378 WeakPolarHBondContact CD-O 3.4Å; R294-A379 VanDerWaalsContact CD-C 3.44Å; R294-A379 WeakPolarHBondContact CD-O 3.38Å; R294-A379 PolarHBondContact NH1-O 2.69Å; R294-V403 VanDerWaalsContact CZ-CG1 3.48Å; R294-V403 VanDerWaalsContact NE-CG1 3.26Å; R294-D489 IonicContact CZ-OD1 2.86Å; R294-D489 IonicContact NH1-OD1 3.02Å; R294-D489 IonicContact NH2-OD1 3.81Å; R294-D489 PolarHBondContact NH2-OD1 2.89Å; R294-D489 IonicContact NH2-OD2 3.63Å; R294-D489 PolarHBondContact NH2-OD2 3.05Å | ||
| 295 | P | 65.3 | Low | 68.3 | Low | 14 Ų | 14 | 54.4 Ų | 54.4 | 9% | 0.091 | 29% | 0.294 | C | S | . | . | trans | -63.7 | 136.3 | 173.9 | 27.3 | -33.1 | 0 | 0 | 0 | 108.7 | A293 H297 C298 L340 H377 | A293-P295 WeakPolarHBondContact O-CD 3.36Å; P295-H297 VanDerWaalsContact C-N 3.28Å; P295-H297 PolarHBondContact O-N 3.21Å; P295-C298 HydrophobicContact CB-CB 4.18Å; P295-C298 HydrophobicContact CG-CB 4.4Å; P295-L340 HydrophobicContact CB-CD1 4.47Å; P295-L340 HydrophobicContact CB-CG 4.36Å; P295-L340 HydrophobicContact CG-CD1 4.33Å; P295-H377 HydrophobicContact CG-CB 3.9Å | ||
| 296 | H | 70.4 | Confident | 70.3 | Confident | 160 Ų | 160 | 55.4 Ų | 55.4 | 74% | 0.741 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -64.1 | -36.9 | 178.4 | -73 | -67.8 | 0 | 0 | 0 | 112 | R294 T378 A379 | R294-H296 PolarHBondContact O-N 3.32Å; H296-T378 CarbonylContact O-C 3.48Å; H296-T378 WeakPolarHBondContact O-CA 3.41Å; H296-A379 PolarHBondContact O-N 2.87Å |
| 297 | H | 83.4 | Confident | 72.2 | Confident | 103 Ų | 103 | 54.9 Ų | 54.9 | 48% | 0.477 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 130.2 | 168.6 | 89 | -47.9 | 0 | 0 | 0 | 109.5 | P295 G336 H377 | P295-H297 VanDerWaalsContact C-N 3.28Å; P295-H297 PolarHBondContact O-N 3.21Å; H297-G336 WeakPolarHBondContact CE1-CA 3.34Å; H297-G336 PolarHBondContact CE1-O 2.94Å; H297-G336 WeakPolarHBondContact NE2-CA 3.34Å; H297-H377 CarbonylContact C-O 3.55Å; H297-H377 VanDerWaalsContact CA-O 3.26Å; H297-H377 WeakPolarHBondContact CA-O 3.34Å |
| 298 | C | 87.1 | Confident | 74.1 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.007 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 177.5 | 122.1 | 166.7 | 164.5 | 0 | 0 | 0 | 0 | 107 | P295 C337 L340 H377 | P295-C298 HydrophobicContact CB-CB 4.18Å; P295-C298 HydrophobicContact CG-CB 4.4Å; C298-C337 HydrophobicContact CB-CB 3.95Å; C298-C337 WeakPolarHBondContact CB-SG 3Å; C298-C337 WeakPolarHBondContact SG-CB 3.33Å; C298-C337 CovalentContact SG-SG 2.04Å; C298-C337 PolarHBondContact SG-SG 3.21Å; C298-L340 HydrophobicContact CB-CD1 4.35Å; C298-H377 PolarHBondContact N-O 2.82Å; C298-H377 VanDerWaalsContact N-O 3.08Å; C298-H377 WeakPolarHBondContact O-CA 3.35Å; C298-H377 WeakPolarHBondContact O-CB 3.37Å; C298-H377 PolarHBondContact O-N 2.75Å |
| 299 | Y | 89.6 | Confident | 76.5 | Confident | 3 Ų | 3 | 50.9 Ų | 50.9 | 1% | 0.012 | 28% | 0.275 | C | S | . | . | cis | -117.5 | 132.4 | 9.9 | 163.7 | -95.8 | 0 | 0 | 0 | 108 | S301 H302 H335 F375 K376 | Y299-S301 VanDerWaalsContact CE1-O 3.27Å; Y299-S301 WeakPolarHBondContact CE1-O 2.92Å; Y299-S301 WeakPolarHBondContact OH-CB 2.84Å; Y299-H302 WeakPolarHBondContact CE1-O 3.39Å; Y299-H302 PolarHBondContact OH-O 2.98Å; Y299-H335 HydrophobicContact CD2-CB 3.41Å; Y299-H335 VanDerWaalsContact CD2-CB 3.41Å; Y299-H335 HydrophobicContact CE2-CB 3.33Å; Y299-H335 AromaticContact CE2-CD2 3.41Å; Y299-H335 VanDerWaalsContact CE2-CD2 3.41Å; Y299-H335 WeakPolarHBondContact CE2-CD2 3.25Å; Y299-H335 AromaticContact CE2-CG 3.61Å; Y299-H335 HydrophobicContact CG-CB 4.35Å; Y299-H335 AromaticContact CZ-CD2 3.78Å; Y299-F375 PolarHBondContact N-O 3.11Å; Y299-F375 CarbonylContact O-C 3.27Å; Y299-K376 WeakPolarHBondContact O-CA 3.26Å; Y299-K376 VanDerWaalsContact O-CG 3.26Å; Y299-K376 WeakPolarHBondContact O-CG 3.38Å | ||
| 300 | S | 86.2 | Confident | 78.8 | Confident | 64 Ų | 64 | 56.1 Ų | 56.1 | 45% | 0.448 | 30% | 0.296 | S | S | . | . | trans | -106.7 | 53 | -171.6 | 64.8 | 0 | 0 | 0 | 0 | 113.8 | H335 | S300-H335 PolarHBondContact N-O 3.5Å; S300-H335 VanDerWaalsContact N-O 3.16Å | ||
| 301 | S | 90.7 | Very high | 81.1 | Confident | 23 Ų | 23 | 55.7 Ų | 55.7 | 16% | 0.161 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -154.8 | -172.6 | 178.5 | -174 | 0 | 0 | 0 | 0 | 111.2 | Y299 H335 A374 | Y299-S301 VanDerWaalsContact CE1-O 3.27Å; Y299-S301 WeakPolarHBondContact CE1-O 2.92Å; Y299-S301 WeakPolarHBondContact OH-CB 2.84Å; S301-H335 VanDerWaalsContact CB-CE1 3.42Å; S301-H335 WeakPolarHBondContact CB-CE1 3.25Å; S301-H335 WeakPolarHBondContact CB-ND1 3.41Å; S301-H335 PolarHBondContact OG-CE1 3.48Å; S301-H335 VanDerWaalsContact OG-CE1 3.31Å; S301-H335 PolarHBondContact OG-NE2 3.42Å; S301-A374 WeakPolarHBondContact O-CB 3.17Å |
| 302 | H | 91.5 | Very high | 83.3 | Confident | 113 Ų | 113 | 55.5 Ų | 55.5 | 52% | 0.523 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -78.3 | 167.8 | -178.9 | 62.9 | -82.7 | 0 | 0 | 0 | 112.6 | Y299 T304 | Y299-H302 WeakPolarHBondContact CE1-O 3.39Å; Y299-H302 PolarHBondContact OH-O 2.98Å; H302-T304 PolarHBondContact O-N 2.95Å |
| 303 | T | 93.8 | Very high | 85.4 | Confident | 4 Ų | 4 | 55.4 Ų | 55.4 | 3% | 0.025 | 29% | 0.289 | C | S | . | . | trans | -57.9 | 137 | -178 | 176.5 | 0 | 0 | 0 | 0 | 113.1 | L305 L306 S371 F372 Q386 E390 | T303-L305 PolarHBondContact O-N 3.35Å; T303-L305 VanDerWaalsContact OG1-CB 3.31Å; T303-L305 WeakPolarHBondContact OG1-CB 3.33Å; T303-L305 WeakPolarHBondContact OG1-CG 3.45Å; T303-L305 PolarHBondContact OG1-N 3.46Å; T303-L306 HydrophobicContact CG2-CD2 4.3Å; T303-L306 HydrophobicContact CG2-CG 4.3Å; T303-S371 WeakPolarHBondContact CA-O 3.45Å; T303-F372 WeakPolarHBondContact CB-O 3.39Å; T303-F372 PolarHBondContact OG1-O 2.73Å; T303-Q386 VanDerWaalsContact CB-NE2 3.35Å; T303-E390 WeakPolarHBondContact CG2-OE2 3.41Å | ||
| 304 | T | 94.4 | Very high | 87.2 | Confident | 5 Ų | 5 | 55.5 Ų | 55.5 | 3% | 0.031 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | 1.2 | 171.1 | 56.4 | 0 | 0 | 0 | 0 | 113.4 | H302 L306 L311 W312 W328 S371 F372 | H302-T304 PolarHBondContact O-N 2.95Å; T304-L306 PolarHBondContact O-N 3.18Å; T304-L311 HydrophobicContact CG2-CD1 3.7Å; T304-W312 VanDerWaalsContact O-CZ2 3.26Å; T304-W312 WeakPolarHBondContact O-CZ2 3.26Å; T304-W312 PolarHBondContact O-NE1 3.45Å; T304-W328 HydrophobicContact CG2-CH2 4.48Å; T304-W328 HydrophobicContact CG2-CZ3 4.43Å; T304-S371 PolarHBondContact N-O 2.76Å; T304-S371 VanDerWaalsContact OG1-C 3.31Å; T304-S371 PolarHBondContact OG1-O 3.32Å; T304-S371 PolarHBondContact OG1-OG 2.57Å; T304-F372 VanDerWaalsContact OG1-CD1 3.26Å; T304-F372 WeakPolarHBondContact OG1-CD1 3.39Å; T304-F372 PolarHBondContact OG1-N 3.06Å |
| 305 | L | 93 | Very high | 88.7 | Confident | 28 Ų | 28 | 53 Ų | 53 | 15% | 0.147 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -0.9 | 178.5 | -65.1 | 173.3 | 0 | 0 | 0 | 113.9 | F251 I267 T303 Y307 W312 F372 | F251-L305 HydrophobicContact CD1-CD2 4.27Å; F251-L305 HydrophobicContact CE1-CD1 3.84Å; F251-L305 HydrophobicContact CE1-CD2 3.64Å; F251-L305 HydrophobicContact CE1-CG 4.41Å; F251-L305 HydrophobicContact CE2-CD1 4.27Å; F251-L305 HydrophobicContact CZ-CD1 3.49Å; F251-L305 VanDerWaalsContact CZ-CD1 3.49Å; F251-L305 HydrophobicContact CZ-CD2 4.2Å; F251-L305 HydrophobicContact CZ-CG 4.5Å; I267-L305 HydrophobicContact CD1-CD2 4.24Å; T303-L305 PolarHBondContact O-N 3.35Å; T303-L305 VanDerWaalsContact OG1-CB 3.31Å; T303-L305 WeakPolarHBondContact OG1-CB 3.33Å; T303-L305 WeakPolarHBondContact OG1-CG 3.45Å; T303-L305 PolarHBondContact OG1-N 3.46Å; L305-Y307 PolarHBondContact O-N 3.32Å; L305-W312 HydrophobicContact CD2-CZ2 4.43Å; L305-F372 HydrophobicContact CD1-CB 4.11Å; L305-F372 WeakPolarHBondContact CD1-O 3.39Å; L305-F372 HydrophobicContact CD2-CB 4.12Å; L305-F372 HydrophobicContact CD2-CD1 3.41Å; L305-F372 VanDerWaalsContact CD2-CD1 3.41Å; L305-F372 HydrophobicContact CD2-CE1 3.97Å; L305-F372 HydrophobicContact CD2-CG 3.83Å; L305-F372 HydrophobicContact CG-CB 3.96Å; L305-F372 HydrophobicContact CG-CD1 3.86Å; L305-F372 HydrophobicContact CG-CG 4.18Å |
| 306 | L | 89.6 | Confident | 90.1 | Very high | 81 Ų | 81 | 55.4 Ų | 55.4 | 42% | 0.424 | 29% | 0.29 | S | S | . | . | trans | -61.2 | 130.4 | 174.6 | -60.4 | 178.7 | 0 | 0 | 0 | 110.8 | T303 T304 S309 W312 | T303-L306 HydrophobicContact CG2-CD2 4.3Å; T303-L306 HydrophobicContact CG2-CG 4.3Å; T304-L306 PolarHBondContact O-N 3.18Å; L306-S309 WeakPolarHBondContact O-CB 3.42Å; L306-S309 PolarHBondContact O-OG 3.36Å; L306-W312 PolarHBondContact O-NE1 2.92Å; L306-W312 VanDerWaalsContact O-NE1 3.13Å | ||
| 307 | Y | 88.3 | Confident | 91.2 | Very high | 104 Ų | 104 | 50 Ų | 50 | 41% | 0.408 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -139.3 | 137.7 | 179.2 | -174.2 | -83 | 0 | 0 | 0 | 110.6 | A260 I262 L266 L305 W312 | A260-Y307 VanDerWaalsContact C-CD1 3.46Å; A260-Y307 HydrophobicContact CB-CD1 4.09Å; A260-Y307 HydrophobicContact CB-CE1 4.18Å; A260-Y307 VanDerWaalsContact O-CD1 3.27Å; A260-Y307 WeakPolarHBondContact O-CD1 3.47Å; I262-Y307 HydrophobicContact CB-CD2 4.43Å; I262-Y307 HydrophobicContact CB-CG 4.43Å; L266-Y307 HydrophobicContact CD2-CE2 4.15Å; L305-Y307 PolarHBondContact O-N 3.32Å; Y307-W312 HydrophobicContact CD2-CB 3.9Å; Y307-W312 AromaticContact CD2-CD1 3.93Å; Y307-W312 HydrophobicContact CD2-CG 4.05Å; Y307-W312 HydrophobicContact CE2-CB 4.03Å |
| 308 | P | 87.7 | Confident | 91.8 | Very high | 106 Ų | 106 | 45.7 Ų | 45.7 | 69% | 0.688 | 25% | 0.251 | S | S | * | . | S | Bend | cis | -70.8 | 147.5 | -4.7 | 31 | -35.1 | 0 | 0 | 0 | 111.8 | ||
| 309 | S | 91.6 | Very high | 92.1 | Very high | 40 Ų | 40 | 51.7 Ų | 51.7 | 28% | 0.28 | 28% | 0.283 | S | S | . | . | trans | -148.5 | 165.9 | 172.2 | 79.2 | 0 | 0 | 0 | 0 | 110.1 | L306 L311 W312 | L306-S309 WeakPolarHBondContact O-CB 3.42Å; L306-S309 PolarHBondContact O-OG 3.36Å; S309-L311 PolarHBondContact O-N 3.19Å; S309-L311 PolarHBondContact OG-N 2.86Å; S309-W312 PolarHBondContact O-N 3.49Å | ||
| 310 | Q | 91.7 | Very high | 92.4 | Very high | 162 Ų | 162 | 52.3 Ų | 52.3 | 76% | 0.757 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -17.1 | 178.3 | -62.5 | -173.8 | 3.9 | 0 | 0 | 112.7 | W312 R327 | Q310-W312 VanDerWaalsContact C-N 3.28Å; Q310-W312 PolarHBondContact O-N 3.06Å; Q310-R327 WeakPolarHBondContact O-CD 3.42Å; Q310-R327 PolarHBondContact O-NE 3.02Å |
| 311 | L | 95 | Very high | 92.9 | Very high | 20 Ų | 20 | 49.2 Ų | 49.2 | 11% | 0.105 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -24.4 | 178.1 | -65.5 | 176.9 | 0 | 0 | 0 | 112.6 | T304 S309 R327 W328 T331 | T304-L311 HydrophobicContact CG2-CD1 3.7Å; S309-L311 PolarHBondContact O-N 3.19Å; S309-L311 PolarHBondContact OG-N 2.86Å; L311-R327 HydrophobicContact CD2-CB 4.42Å; L311-W328 HydrophobicContact CB-CZ2 3.97Å; L311-W328 HydrophobicContact CD1-CH2 4.44Å; L311-W328 HydrophobicContact CD1-CZ2 4.4Å; L311-W328 HydrophobicContact CD2-CD2 4.37Å; L311-W328 HydrophobicContact CD2-CG 4.42Å; L311-W328 PolarHBondContact O-NE1 3.1Å; L311-T331 HydrophobicContact CD1-CG2 4.33Å; L311-T331 HydrophobicContact CD2-CG2 4.31Å |
| 312 | W | 94.9 | Very high | 93.1 | Very high | 17 Ų | 17 | 50.1 Ų | 50.1 | 6% | 0.064 | 27% | 0.269 | C | S | . | . | trans | -106.9 | 122.5 | -175 | -54 | 115.1 | 0 | 0 | 0 | 110.4 | I262 L266 I267 T270 T304 L305 L306 Y307 S309 Q310 W328 F372 | I262-W312 HydrophobicContact CD1-CD2 3.39Å; I262-W312 HydrophobicContact CD1-CE3 3.48Å; I262-W312 VanDerWaalsContact CD1-CE3 3.48Å; I262-W312 HydrophobicContact CD1-CG 4.09Å; I262-W312 HydrophobicContact CD1-CH2 3.39Å; I262-W312 HydrophobicContact CD1-CZ2 3.35Å; I262-W312 HydrophobicContact CD1-CZ3 3.48Å; I262-W312 VanDerWaalsContact CD1-CZ3 3.48Å; L266-W312 HydrophobicContact CD2-CB 4.33Å; L266-W312 HydrophobicContact CG-CE3 4.34Å; I267-W312 HydrophobicContact CG1-CH2 4.11Å; I267-W312 HydrophobicContact CG1-CZ3 4.39Å; T270-W312 HydrophobicContact CG2-CE3 4.23Å; T270-W312 HydrophobicContact CG2-CZ3 3.93Å; T304-W312 VanDerWaalsContact O-CZ2 3.26Å; T304-W312 WeakPolarHBondContact O-CZ2 3.26Å; T304-W312 PolarHBondContact O-NE1 3.45Å; L305-W312 HydrophobicContact CD2-CZ2 4.43Å; L306-W312 PolarHBondContact O-NE1 2.92Å; L306-W312 VanDerWaalsContact O-NE1 3.13Å; Y307-W312 HydrophobicContact CD2-CB 3.9Å; Y307-W312 AromaticContact CD2-CD1 3.93Å; Y307-W312 HydrophobicContact CD2-CG 4.05Å; Y307-W312 HydrophobicContact CE2-CB 4.03Å; S309-W312 PolarHBondContact O-N 3.49Å; Q310-W312 VanDerWaalsContact C-N 3.28Å; Q310-W312 PolarHBondContact O-N 3.06Å; W312-W328 HydrophobicContact CD2-CZ2 4.45Å; W312-W328 HydrophobicContact CE3-CZ2 4.25Å; W312-W328 HydrophobicContact CH2-CH2 4.12Å; W312-W328 AromaticContact CH2-CZ2 3.7Å; W312-W328 HydrophobicContact CH2-CZ2 3.7Å; W312-W328 HydrophobicContact CZ2-CH2 4.16Å; W312-W328 AromaticContact CZ2-CZ2 3.85Å; W312-W328 HydrophobicContact CZ2-CZ2 3.85Å; W312-W328 AromaticContact CZ3-CZ2 3.88Å; W312-W328 HydrophobicContact CZ3-CZ2 3.88Å; W312-F372 HydrophobicContact CH2-CD1 4.47Å; W312-F372 AromaticContact CH2-CE1 3.43Å; W312-F372 HydrophobicContact CH2-CE1 3.43Å; W312-F372 VanDerWaalsContact CH2-CE1 3.43Å; W312-F372 AromaticContact CH2-CZ 3.87Å; W312-F372 HydrophobicContact CH2-CZ 3.87Å; W312-F372 HydrophobicContact CZ2-CD1 4.47Å; W312-F372 AromaticContact CZ2-CE1 3.76Å; W312-F372 HydrophobicContact CZ2-CE1 3.76Å | ||
| 313 | S | 93.2 | Very high | 93.3 | Very high | 22 Ų | 22 | 46.8 Ų | 46.8 | 15% | 0.154 | 26% | 0.258 | C | S | . | . | trans | -128.1 | 173.5 | 178.8 | 83.6 | 0 | 0 | 0 | 0 | 112.5 | L315 S320 T324 | S313-L315 VanDerWaalsContact C-N 3.26Å; S313-L315 PolarHBondContact O-N 2.97Å; S313-L315 PolarHBondContact OG-N 3.2Å; S313-S320 PolarHBondContact OG-OG 3.47Å; S313-T324 VanDerWaalsContact CB-OG1 3.29Å; S313-T324 WeakPolarHBondContact CB-OG1 3.29Å; S313-T324 PolarHBondContact OG-OG1 3.43Å | ||
| 314 | S | 91.3 | Very high | 93.4 | Very high | 43 Ų | 43 | 46.7 Ų | 46.7 | 30% | 0.301 | 26% | 0.258 | S | S | . | . | trans | -63.3 | -26.3 | 176.9 | 50.8 | 0 | 0 | 0 | 0 | 114.2 | Q53 D316 S320 | Q53-S314 PolarHBondContact NE2-O 3.41Å; S314-D316 PolarHBondContact O-N 3.01Å; S314-D316 VanDerWaalsContact OG-CG 3.25Å; S314-D316 PolarHBondContact OG-OD1 2.99Å; S314-S320 PolarHBondContact OG-OG 3.3Å | ||
| 315 | L | 95.2 | Very high | 93.5 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | trans | 52.5 | 30.2 | -176.7 | -55.5 | 164.1 | 0 | 0 | 0 | 113.9 | W54 L55 L266 A269 Y273 S313 S320 I321 T324 | W54-L315 WeakPolarHBondContact CA-O 3.4Å; L55-L315 PolarHBondContact N-O 3.11Å; L266-L315 HydrophobicContact CD1-CD1 3.94Å; A269-L315 HydrophobicContact CB-CD1 4.07Å; Y273-L315 HydrophobicContact CD2-CB 4.24Å; Y273-L315 HydrophobicContact CD2-CD1 3.79Å; Y273-L315 HydrophobicContact CD2-CD2 3.85Å; Y273-L315 HydrophobicContact CD2-CG 4.17Å; Y273-L315 HydrophobicContact CE2-CB 3.74Å; Y273-L315 HydrophobicContact CE2-CD1 3.82Å; Y273-L315 HydrophobicContact CE2-CD2 4.23Å; Y273-L315 HydrophobicContact CE2-CG 4.14Å; S313-L315 VanDerWaalsContact C-N 3.26Å; S313-L315 PolarHBondContact O-N 2.97Å; S313-L315 PolarHBondContact OG-N 3.2Å; L315-S320 PolarHBondContact N-OG 3.03Å; L315-I321 HydrophobicContact CB-CG1 4.24Å; L315-I321 HydrophobicContact CD2-CG1 4.02Å; L315-T324 HydrophobicContact CD2-CG2 4.08Å | ||
| 316 | D | 93.4 | Very high | 93.6 | Very high | 64 Ų | 64 | 48.3 Ų | 48.3 | 34% | 0.342 | 27% | 0.271 | S | S | . | . | trans | -94.3 | -16.7 | -172.3 | 62.2 | -22.2 | 0 | 0 | 0 | 114.6 | Q53 S314 | Q53-D316 HydrophobicContact CB-CB 4.34Å; Q53-D316 HydrophobicContact CG-CB 4.33Å; Q53-D316 VanDerWaalsContact O-CA 3.24Å; Q53-D316 WeakPolarHBondContact O-CA 3.29Å; Q53-D316 WeakPolarHBondContact O-CB 3.46Å; S314-D316 PolarHBondContact O-N 3.01Å; S314-D316 VanDerWaalsContact OG-CG 3.25Å; S314-D316 PolarHBondContact OG-OD1 2.99Å | ||
| 317 | S | 94.7 | Very high | 93.9 | Very high | 47 Ų | 47 | 48 Ų | 48 | 33% | 0.329 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -134.8 | 156.8 | -177.3 | 57.3 | 0 | 0 | 0 | 0 | 110.8 | D319 S320 I321 | S317-D319 VanDerWaalsContact C-N 3.31Å; S317-D319 PolarHBondContact O-N 3.44Å; S317-S320 WeakPolarHBondContact O-CB 3.47Å; S317-S320 PolarHBondContact O-N 3.4Å; S317-S320 WeakPolarHBondContact OG-CB 3.48Å; S317-S320 PolarHBondContact OG-N 3.19Å; S317-I321 PolarHBondContact O-N 3.17Å |
| 318 | L | 95.1 | Very high | 94.2 | Very high | 11 Ų | 11 | 43 Ų | 43 | 6% | 0.058 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.1 | -43 | -179.7 | 177.1 | 59.6 | 0 | 0 | 0 | 111.7 | L55 F57 P70 V72 L74 S320 I321 L322 | L55-L318 HydrophobicContact CD2-CB 4.19Å; F57-L318 HydrophobicContact CE2-CD1 4.17Å; P70-L318 HydrophobicContact CG-CD2 4.34Å; V72-L318 HydrophobicContact CG1-CD2 4.06Å; L74-L318 HydrophobicContact CD1-CD1 3.56Å; L74-L318 HydrophobicContact CD1-CD2 4.4Å; L74-L318 HydrophobicContact CD2-CD2 4.11Å; L318-S320 PolarHBondContact O-N 3.01Å; L318-I321 PolarHBondContact O-N 2.94Å; L318-L322 HydrophobicContact CD1-CD1 3.96Å; L318-L322 HydrophobicContact CD1-CD2 4.44Å; L318-L322 HydrophobicContact CD1-CG 3.94Å; L318-L322 HydrophobicContact CG-CD1 4.02Å; L318-L322 HydrophobicContact CG-CG 4.36Å; L318-L322 WeakPolarHBondContact O-CG 3.3Å; L318-L322 PolarHBondContact O-N 3.11Å |
| 319 | D | 94.4 | Very high | 94.5 | Very high | 127 Ų | 127 | 40.7 Ų | 40.7 | 68% | 0.679 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -65.7 | -38 | 178.6 | -62.6 | -39.7 | 0 | 0 | 0 | 112.2 | S317 I321 S323 | S317-D319 VanDerWaalsContact C-N 3.31Å; S317-D319 PolarHBondContact O-N 3.44Å; D319-I321 VanDerWaalsContact C-N 3.35Å; D319-S323 WeakPolarHBondContact O-CB 3.47Å; D319-S323 PolarHBondContact O-N 3.06Å; D319-S323 PolarHBondContact O-OG 3.26Å |
| 320 | S | 95.1 | Very high | 94.6 | Very high | 16 Ų | 16 | 44.9 Ų | 44.9 | 11% | 0.112 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.4 | -44.2 | 174.3 | -175.4 | 0 | 0 | 0 | 0 | 110.9 | S313 S314 L315 S317 L318 S323 T324 | S313-S320 PolarHBondContact OG-OG 3.47Å; S314-S320 PolarHBondContact OG-OG 3.3Å; L315-S320 PolarHBondContact N-OG 3.03Å; S317-S320 WeakPolarHBondContact O-CB 3.47Å; S317-S320 PolarHBondContact O-N 3.4Å; S317-S320 WeakPolarHBondContact OG-CB 3.48Å; S317-S320 PolarHBondContact OG-N 3.19Å; L318-S320 PolarHBondContact O-N 3.01Å; S320-S323 PolarHBondContact O-OG 3.39Å; S320-S323 VanDerWaalsContact O-OG 3.08Å; S320-T324 WeakPolarHBondContact O-CB 3.37Å; S320-T324 PolarHBondContact O-N 2.99Å; S320-T324 PolarHBondContact O-OG1 3.43Å |
| 321 | I | 96.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.3 | -53.3 | 177.3 | -70.8 | 160.8 | 0 | 0 | 0 | 111.4 | L55 Y273 L315 S317 L318 D319 S323 T324 V325 | L55-I321 HydrophobicContact CB-CD1 3.53Å; L55-I321 HydrophobicContact CD2-CD1 3.71Å; L55-I321 HydrophobicContact CG-CD1 4.26Å; Y273-I321 HydrophobicContact CD1-CB 4.48Å; Y273-I321 HydrophobicContact CD1-CD1 3.8Å; Y273-I321 HydrophobicContact CD1-CG1 3.96Å; Y273-I321 HydrophobicContact CD1-CG2 3.67Å; Y273-I321 HydrophobicContact CD2-CG1 4.45Å; Y273-I321 HydrophobicContact CE1-CD1 3.32Å; Y273-I321 HydrophobicContact CE1-CG1 3.89Å; Y273-I321 HydrophobicContact CE1-CG2 4.36Å; Y273-I321 HydrophobicContact CE2-CD1 4.48Å; Y273-I321 HydrophobicContact CE2-CG1 4.44Å; Y273-I321 HydrophobicContact CG-CG1 4.24Å; Y273-I321 HydrophobicContact CG-CG2 3.98Å; L315-I321 HydrophobicContact CB-CG1 4.24Å; L315-I321 HydrophobicContact CD2-CG1 4.02Å; S317-I321 PolarHBondContact O-N 3.17Å; L318-I321 PolarHBondContact O-N 2.94Å; D319-I321 VanDerWaalsContact C-N 3.35Å; I321-S323 VanDerWaalsContact C-N 3.3Å; I321-S323 PolarHBondContact O-N 3.17Å; I321-T324 PolarHBondContact O-N 2.97Å; I321-V325 HydrophobicContact CG2-CG2 4.46Å; I321-V325 WeakPolarHBondContact O-CG2 3.4Å; I321-V325 PolarHBondContact O-N 2.86Å |
| 322 | L | 95.4 | Very high | 94.7 | Very high | 42 Ų | 42 | 37.6 Ų | 37.6 | 22% | 0.22 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.1 | -37.9 | -176.9 | -66.7 | -179.1 | 0 | 0 | 0 | 112 | F83 L318 S326 | F83-L322 HydrophobicContact CB-CD2 3.95Å; F83-L322 HydrophobicContact CD2-CD2 3.84Å; F83-L322 HydrophobicContact CG-CD2 4.37Å; L318-L322 HydrophobicContact CD1-CD1 3.96Å; L318-L322 HydrophobicContact CD1-CD2 4.44Å; L318-L322 HydrophobicContact CD1-CG 3.94Å; L318-L322 HydrophobicContact CG-CD1 4.02Å; L318-L322 HydrophobicContact CG-CG 4.36Å; L318-L322 WeakPolarHBondContact O-CG 3.3Å; L318-L322 PolarHBondContact O-N 3.11Å; L322-S326 WeakPolarHBondContact O-CB 3.41Å; L322-S326 PolarHBondContact O-N 3.5Å |
| 323 | S | 95.6 | Very high | 94.5 | Very high | 43 Ų | 43 | 38.9 Ų | 38.9 | 30% | 0.301 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -70.2 | -38.3 | 176 | 71.3 | 0 | 0 | 0 | 0 | 112.2 | D319 S320 I321 S326 R327 | D319-S323 WeakPolarHBondContact O-CB 3.47Å; D319-S323 PolarHBondContact O-N 3.06Å; D319-S323 PolarHBondContact O-OG 3.26Å; S320-S323 PolarHBondContact O-OG 3.39Å; S320-S323 VanDerWaalsContact O-OG 3.08Å; I321-S323 VanDerWaalsContact C-N 3.3Å; I321-S323 PolarHBondContact O-N 3.17Å; S323-S326 PolarHBondContact O-N 3.18Å; S323-R327 WeakPolarHBondContact O-CG 3.47Å; S323-R327 PolarHBondContact O-N 3.33Å; S323-R327 PolarHBondContact O-NH1 2.86Å; S323-R327 PolarHBondContact OG-NH1 3.02Å |
| 324 | T | 96.5 | Very high | 94.5 | Very high | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.012 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.3 | -48.4 | 173.6 | -67.8 | 0 | 0 | 0 | 0 | 111.2 | T270 S313 L315 S320 I321 S326 R327 W328 | T270-T324 HydrophobicContact CG2-CG2 4.31Å; S313-T324 VanDerWaalsContact CB-OG1 3.29Å; S313-T324 WeakPolarHBondContact CB-OG1 3.29Å; S313-T324 PolarHBondContact OG-OG1 3.43Å; L315-T324 HydrophobicContact CD2-CG2 4.08Å; S320-T324 WeakPolarHBondContact O-CB 3.37Å; S320-T324 PolarHBondContact O-N 2.99Å; S320-T324 PolarHBondContact O-OG1 3.43Å; I321-T324 PolarHBondContact O-N 2.97Å; T324-S326 VanDerWaalsContact C-N 3.26Å; T324-S326 PolarHBondContact O-N 3.15Å; T324-R327 PolarHBondContact O-N 3.28Å; T324-R327 VanDerWaalsContact O-N 3.13Å; T324-R327 PolarHBondContact OG1-NH2 3.38Å; T324-W328 VanDerWaalsContact O-CD1 3.28Å; T324-W328 PolarHBondContact O-N 2.91Å |
| 325 | V | 95.7 | Very high | 94.5 | Very high | 17 Ų | 17 | 43.9 Ų | 43.9 | 10% | 0.103 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -56.7 | -42.6 | 175.9 | 172.9 | 0 | 0 | 0 | 0 | 111.1 | L274 Y278 I321 N329 | L274-V325 HydrophobicContact CD2-CB 4.31Å; L274-V325 HydrophobicContact CD2-CG1 4.33Å; L274-V325 HydrophobicContact CD2-CG2 4.14Å; Y278-V325 HydrophobicContact CE2-CG1 4.39Å; I321-V325 HydrophobicContact CG2-CG2 4.46Å; I321-V325 WeakPolarHBondContact O-CG2 3.4Å; I321-V325 PolarHBondContact O-N 2.86Å; V325-N329 WeakPolarHBondContact O-CB 3.34Å; V325-N329 PolarHBondContact O-N 3.04Å |
| 326 | S | 94.2 | Very high | 94.2 | Very high | 50 Ų | 50 | 44 Ų | 44 | 35% | 0.35 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.2 | -40.7 | 177.3 | -169.6 | 0 | 0 | 0 | 0 | 113 | L322 S323 T324 F330 | L322-S326 WeakPolarHBondContact O-CB 3.41Å; L322-S326 PolarHBondContact O-N 3.5Å; S323-S326 PolarHBondContact O-N 3.18Å; T324-S326 VanDerWaalsContact C-N 3.26Å; T324-S326 PolarHBondContact O-N 3.15Å; S326-F330 WeakPolarHBondContact O-CB 3.3Å; S326-F330 PolarHBondContact O-N 3.04Å |
| 327 | R | 95.8 | Very high | 94 | Very high | 73 Ų | 73 | 41 Ų | 41 | 28% | 0.275 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -66.6 | -45.4 | 178.2 | -73.5 | -173.7 | -62.4 | -86.6 | 1 | 111.6 | Q310 L311 S323 T324 F330 T331 | Q310-R327 WeakPolarHBondContact O-CD 3.42Å; Q310-R327 PolarHBondContact O-NE 3.02Å; L311-R327 HydrophobicContact CD2-CB 4.42Å; S323-R327 WeakPolarHBondContact O-CG 3.47Å; S323-R327 PolarHBondContact O-N 3.33Å; S323-R327 PolarHBondContact O-NH1 2.86Å; S323-R327 PolarHBondContact OG-NH1 3.02Å; T324-R327 PolarHBondContact O-N 3.28Å; T324-R327 VanDerWaalsContact O-N 3.13Å; T324-R327 PolarHBondContact OG1-NH2 3.38Å; R327-F330 PolarHBondContact O-N 2.69Å; R327-T331 WeakPolarHBondContact O-CB 3.43Å; R327-T331 PolarHBondContact O-N 3.49Å; R327-T331 PolarHBondContact O-OG1 3.44Å; R327-T331 VanDerWaalsContact O-OG1 3.1Å |
| 328 | W | 96.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.4 | -45.4 | 174.8 | -85.8 | 92.4 | 0 | 0 | 0 | 112.4 | T270 L274 T304 L311 W312 T324 F330 T331 L332 V368 F372 | T270-W328 HydrophobicContact CG2-CZ2 4.26Å; L274-W328 HydrophobicContact CD1-CB 4.19Å; L274-W328 HydrophobicContact CD1-CD2 3.87Å; L274-W328 HydrophobicContact CD1-CE3 4.21Å; L274-W328 HydrophobicContact CD1-CG 3.85Å; L274-W328 HydrophobicContact CD2-CB 3.5Å; L274-W328 VanDerWaalsContact CD2-CB 3.5Å; L274-W328 HydrophobicContact CD2-CG 3.87Å; L274-W328 HydrophobicContact CG-CB 4.48Å; L274-W328 HydrophobicContact CG-CG 4.42Å; T304-W328 HydrophobicContact CG2-CH2 4.48Å; T304-W328 HydrophobicContact CG2-CZ3 4.43Å; L311-W328 HydrophobicContact CB-CZ2 3.97Å; L311-W328 HydrophobicContact CD1-CH2 4.44Å; L311-W328 HydrophobicContact CD1-CZ2 4.4Å; L311-W328 HydrophobicContact CD2-CD2 4.37Å; L311-W328 HydrophobicContact CD2-CG 4.42Å; L311-W328 PolarHBondContact O-NE1 3.1Å; W312-W328 HydrophobicContact CD2-CZ2 4.45Å; W312-W328 HydrophobicContact CE3-CZ2 4.25Å; W312-W328 HydrophobicContact CH2-CH2 4.12Å; W312-W328 AromaticContact CH2-CZ2 3.7Å; W312-W328 HydrophobicContact CH2-CZ2 3.7Å; W312-W328 HydrophobicContact CZ2-CH2 4.16Å; W312-W328 AromaticContact CZ2-CZ2 3.85Å; W312-W328 HydrophobicContact CZ2-CZ2 3.85Å; W312-W328 AromaticContact CZ3-CZ2 3.88Å; W312-W328 HydrophobicContact CZ3-CZ2 3.88Å; T324-W328 VanDerWaalsContact O-CD1 3.28Å; T324-W328 PolarHBondContact O-N 2.91Å; W328-F330 PolarHBondContact O-N 2.72Å; W328-T331 PolarHBondContact O-N 3.18Å; W328-L332 HydrophobicContact CE3-CD1 4.41Å; W328-L332 HydrophobicContact CE3-CG 4.46Å; W328-L332 WeakPolarHBondContact O-CB 3.44Å; W328-L332 VanDerWaalsContact O-CG 3.25Å; W328-L332 WeakPolarHBondContact O-CG 3.47Å; W328-L332 PolarHBondContact O-N 2.82Å; W328-V368 HydrophobicContact CE3-CG2 4.23Å; W328-V368 HydrophobicContact CZ3-CG1 4.25Å; W328-V368 HydrophobicContact CZ3-CG2 4.32Å; W328-F372 HydrophobicContact CH2-CD1 4.39Å; W328-F372 AromaticContact CH2-CE1 3.58Å; W328-F372 HydrophobicContact CH2-CE1 3.58Å; W328-F372 HydrophobicContact CH2-CZ 4.25Å; W328-F372 HydrophobicContact CZ2-CE1 4.34Å; W328-F372 HydrophobicContact CZ3-CE1 4.36Å |
| 329 | N | 93.4 | Very high | 92.9 | Very high | 57 Ų | 57 | 46.3 Ų | 46.3 | 31% | 0.305 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -56.1 | -52.2 | 175.8 | -176.2 | 35.3 | 0 | 0 | 0 | 111.1 | Y278 V325 T331 L332 V333 V341 | Y278-N329 WeakPolarHBondContact OH-CB 3.45Å; Y278-N329 PolarHBondContact OH-OD1 3.49Å; V325-N329 WeakPolarHBondContact O-CB 3.34Å; V325-N329 PolarHBondContact O-N 3.04Å; N329-T331 PolarHBondContact O-N 3.27Å; N329-L332 PolarHBondContact O-N 2.75Å; N329-V333 WeakPolarHBondContact O-CB 3.38Å; N329-V333 VanDerWaalsContact O-CG2 3.28Å; N329-V333 WeakPolarHBondContact O-CG2 2.96Å; N329-V333 PolarHBondContact O-N 2.69Å; N329-V341 VanDerWaalsContact OD1-CG1 3.27Å; N329-V341 WeakPolarHBondContact OD1-CG1 3.26Å |
| 330 | F | 93.4 | Very high | 92.2 | Very high | 129 Ų | 129 | 40.7 Ų | 40.7 | 57% | 0.566 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -57.3 | -50.9 | 178.9 | -177.6 | -100.6 | 0 | 0 | 0 | 111.7 | S326 R327 W328 L332 V333 E334 | S326-F330 WeakPolarHBondContact O-CB 3.3Å; S326-F330 PolarHBondContact O-N 3.04Å; R327-F330 PolarHBondContact O-N 2.69Å; W328-F330 PolarHBondContact O-N 2.72Å; F330-L332 PolarHBondContact O-N 3.44Å; F330-V333 PolarHBondContact O-N 3.01Å; F330-E334 HydrophobicContact CD1-CG 4.09Å; F330-E334 HydrophobicContact CD2-CG 4.12Å; F330-E334 HydrophobicContact CE1-CG 3.73Å; F330-E334 HydrophobicContact CE2-CG 3.75Å; F330-E334 WeakPolarHBondContact CE2-OE1 3.35Å; F330-E334 HydrophobicContact CG-CG 4.28Å; F330-E334 HydrophobicContact CZ-CG 3.55Å; F330-E334 WeakPolarHBondContact O-CB 3.36Å; F330-E334 VanDerWaalsContact O-CG 3.26Å; F330-E334 WeakPolarHBondContact O-CG 3.27Å; F330-E334 PolarHBondContact O-N 3.11Å |
| 331 | T | 94.7 | Very high | 91.5 | Very high | 28 Ų | 28 | 40 Ų | 40 | 17% | 0.172 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.6 | -40.9 | 180 | -63.3 | 0 | 0 | 0 | 0 | 113.2 | L311 R327 W328 N329 H335 | L311-T331 HydrophobicContact CD1-CG2 4.33Å; L311-T331 HydrophobicContact CD2-CG2 4.31Å; R327-T331 WeakPolarHBondContact O-CB 3.43Å; R327-T331 PolarHBondContact O-N 3.49Å; R327-T331 PolarHBondContact O-OG1 3.44Å; R327-T331 VanDerWaalsContact O-OG1 3.1Å; W328-T331 PolarHBondContact O-N 3.18Å; N329-T331 PolarHBondContact O-N 3.27Å; T331-H335 WeakPolarHBondContact O-CB 3.45Å; T331-H335 PolarHBondContact O-CD2 2.9Å; T331-H335 PolarHBondContact O-N 3.03Å |
| 332 | L | 93.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -69.3 | -41.4 | 179.1 | -68 | 173.2 | 0 | 0 | 0 | 111.8 | W328 N329 F330 H335 G336 C337 V341 L364 A367 V368 | W328-L332 HydrophobicContact CE3-CD1 4.41Å; W328-L332 HydrophobicContact CE3-CG 4.46Å; W328-L332 WeakPolarHBondContact O-CB 3.44Å; W328-L332 VanDerWaalsContact O-CG 3.25Å; W328-L332 WeakPolarHBondContact O-CG 3.47Å; W328-L332 PolarHBondContact O-N 2.82Å; N329-L332 PolarHBondContact O-N 2.75Å; F330-L332 PolarHBondContact O-N 3.44Å; L332-H335 CarbonylContact O-C 3.57Å; L332-H335 PolarHBondContact O-N 3.42Å; L332-G336 PolarHBondContact O-N 3.16Å; L332-C337 HydrophobicContact CB-CB 4.25Å; L332-C337 WeakPolarHBondContact O-CA 3.38Å; L332-C337 VanDerWaalsContact O-CB 3.24Å; L332-C337 WeakPolarHBondContact O-CB 3.35Å; L332-C337 PolarHBondContact O-N 3Å; L332-V341 HydrophobicContact CB-CG2 3.99Å; L332-V341 HydrophobicContact CD1-CG2 4.01Å; L332-L364 HydrophobicContact CD1-CD1 3.74Å; L332-A367 HydrophobicContact CD1-CB 4.18Å; L332-A367 HydrophobicContact CD2-CB 4.15Å; L332-V368 HydrophobicContact CD1-CG2 3.86Å |
| 333 | V | 91.3 | Very high | 88.3 | Confident | 44 Ų | 44 | 42.3 Ų | 42.3 | 27% | 0.267 | 22% | 0.218 | S | C | . | . | I | π-helix | trans | -64.9 | -49.5 | 178.2 | 169.9 | 0 | 0 | 0 | 0 | 111 | N329 F330 H335 G336 E338 | N329-V333 WeakPolarHBondContact O-CB 3.38Å; N329-V333 VanDerWaalsContact O-CG2 3.28Å; N329-V333 WeakPolarHBondContact O-CG2 2.96Å; N329-V333 PolarHBondContact O-N 2.69Å; F330-V333 PolarHBondContact O-N 3.01Å; V333-H335 PolarHBondContact O-N 3.25Å; V333-G336 PolarHBondContact O-N 3.02Å; V333-E338 HydrophobicContact CG1-CB 4.16Å; V333-E338 HydrophobicContact CG1-CG 4.22Å |
| 334 | E | 92.3 | Very high | 86.3 | Confident | 122 Ų | 122 | 41.2 Ų | 41.2 | 57% | 0.57 | 21% | 0.213 | S | C | * | . | I | π-helix | trans | -60.6 | -26.1 | 178.5 | -71.3 | -65.1 | 145.3 | 0 | 0 | 113 | F330 | F330-E334 HydrophobicContact CD1-CG 4.09Å; F330-E334 HydrophobicContact CD2-CG 4.12Å; F330-E334 HydrophobicContact CE1-CG 3.73Å; F330-E334 HydrophobicContact CE2-CG 3.75Å; F330-E334 WeakPolarHBondContact CE2-OE1 3.35Å; F330-E334 HydrophobicContact CG-CG 4.28Å; F330-E334 HydrophobicContact CZ-CG 3.55Å; F330-E334 WeakPolarHBondContact O-CB 3.36Å; F330-E334 VanDerWaalsContact O-CG 3.26Å; F330-E334 WeakPolarHBondContact O-CG 3.27Å; F330-E334 PolarHBondContact O-N 3.11Å |
| 335 | H | 93.1 | Very high | 84 | Confident | 49 Ų | 49 | 49.6 Ų | 49.6 | 23% | 0.227 | 25% | 0.246 | C | C | . | . | I | π-helix | trans | -99 | 21.9 | 176.7 | -65.5 | -45.4 | 0 | 0 | 0 | 113.9 | Y299 S300 S301 T331 L332 V333 | Y299-H335 HydrophobicContact CD2-CB 3.41Å; Y299-H335 VanDerWaalsContact CD2-CB 3.41Å; Y299-H335 HydrophobicContact CE2-CB 3.33Å; Y299-H335 AromaticContact CE2-CD2 3.41Å; Y299-H335 VanDerWaalsContact CE2-CD2 3.41Å; Y299-H335 WeakPolarHBondContact CE2-CD2 3.25Å; Y299-H335 AromaticContact CE2-CG 3.61Å; Y299-H335 HydrophobicContact CG-CB 4.35Å; Y299-H335 AromaticContact CZ-CD2 3.78Å; S300-H335 PolarHBondContact N-O 3.5Å; S300-H335 VanDerWaalsContact N-O 3.16Å; S301-H335 VanDerWaalsContact CB-CE1 3.42Å; S301-H335 WeakPolarHBondContact CB-CE1 3.25Å; S301-H335 WeakPolarHBondContact CB-ND1 3.41Å; S301-H335 PolarHBondContact OG-CE1 3.48Å; S301-H335 VanDerWaalsContact OG-CE1 3.31Å; S301-H335 PolarHBondContact OG-NE2 3.42Å; T331-H335 WeakPolarHBondContact O-CB 3.45Å; T331-H335 PolarHBondContact O-CD2 2.9Å; T331-H335 PolarHBondContact O-N 3.03Å; L332-H335 CarbonylContact O-C 3.57Å; L332-H335 PolarHBondContact O-N 3.42Å; V333-H335 PolarHBondContact O-N 3.25Å |
| 336 | G | 88.8 | Confident | 81.5 | Confident | 4 Ų | 4 | 56.7 Ų | 56.7 | 4% | 0.041 | 28% | 0.276 | C | S | . | . | I | π-helix | trans | 95.3 | -4.3 | 165.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | H297 L332 V333 E338 | H297-G336 WeakPolarHBondContact CE1-CA 3.34Å; H297-G336 PolarHBondContact CE1-O 2.94Å; H297-G336 WeakPolarHBondContact NE2-CA 3.34Å; L332-G336 PolarHBondContact O-N 3.16Å; V333-G336 PolarHBondContact O-N 3.02Å; G336-E338 PolarHBondContact O-N 3.41Å |
| 337 | C | 89.3 | Confident | 78.9 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 30% | 0.295 | C | S | . | . | I | π-helix | trans | -83.9 | 18 | -177.4 | -54.2 | 0 | 0 | 0 | 0 | 113.4 | C298 L332 S339 L340 V341 A367 | C298-C337 HydrophobicContact CB-CB 3.95Å; C298-C337 WeakPolarHBondContact CB-SG 3Å; C298-C337 WeakPolarHBondContact SG-CB 3.33Å; C298-C337 CovalentContact SG-SG 2.04Å; C298-C337 PolarHBondContact SG-SG 3.21Å; L332-C337 HydrophobicContact CB-CB 4.25Å; L332-C337 WeakPolarHBondContact O-CA 3.38Å; L332-C337 VanDerWaalsContact O-CB 3.24Å; L332-C337 WeakPolarHBondContact O-CB 3.35Å; L332-C337 PolarHBondContact O-N 3Å; C337-S339 VanDerWaalsContact C-N 3.32Å; C337-S339 PolarHBondContact O-N 3.22Å; C337-L340 WeakPolarHBondContact O-CA 3.28Å; C337-L340 PolarHBondContact O-N 3.34Å; C337-V341 HydrophobicContact CB-CG2 4.28Å; C337-V341 WeakPolarHBondContact O-CG2 3.46Å; C337-V341 PolarHBondContact O-N 3.4Å; C337-A367 HydrophobicContact CB-CB 3.8Å |
| 338 | E | 85.8 | Confident | 76.3 | Confident | 113 Ų | 113 | 63 Ų | 63 | 53% | 0.528 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -53.7 | -47.9 | 178.3 | -172.3 | -178.3 | -175.7 | 0 | 0 | 111.8 | V333 G336 L340 V341 F342 | V333-E338 HydrophobicContact CG1-CB 4.16Å; V333-E338 HydrophobicContact CG1-CG 4.22Å; G336-E338 PolarHBondContact O-N 3.41Å; E338-L340 PolarHBondContact O-N 3.4Å; E338-L340 VanDerWaalsContact O-N 3.14Å; E338-V341 PolarHBondContact O-N 2.92Å; E338-V341 VanDerWaalsContact O-N 3.15Å; E338-F342 VanDerWaalsContact O-CB 3.29Å; E338-F342 WeakPolarHBondContact O-CB 3.41Å; E338-F342 PolarHBondContact O-N 2.92Å |
| 339 | S | 79.1 | Confident | 73.6 | Confident | 57 Ų | 57 | 71.6 Ų | 71.6 | 40% | 0.399 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -56.6 | -31.5 | 176.6 | 61.3 | 0 | 0 | 0 | 0 | 113 | C337 | C337-S339 VanDerWaalsContact C-N 3.32Å; C337-S339 PolarHBondContact O-N 3.22Å |
| 340 | L | 80.5 | Confident | 71.2 | Confident | 8 Ų | 8 | 76.2 Ų | 76.2 | 4% | 0.042 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -86.6 | -27.7 | -179.6 | -69.4 | -173.1 | 0 | 0 | 0 | 114.1 | I291 P295 C298 C337 E338 S359 G363 L364 Q366 A367 L370 | I291-L340 HydrophobicContact CG2-CD2 4.5Å; P295-L340 HydrophobicContact CB-CD1 4.47Å; P295-L340 HydrophobicContact CB-CG 4.36Å; P295-L340 HydrophobicContact CG-CD1 4.33Å; C298-L340 HydrophobicContact CB-CD1 4.35Å; C337-L340 WeakPolarHBondContact O-CA 3.28Å; C337-L340 PolarHBondContact O-N 3.34Å; E338-L340 PolarHBondContact O-N 3.4Å; E338-L340 VanDerWaalsContact O-N 3.14Å; L340-S359 VanDerWaalsContact C-OG 3.28Å; L340-S359 WeakPolarHBondContact CA-OG 3.49Å; L340-S359 WeakPolarHBondContact CD2-OG 3.49Å; L340-S359 CarbonylContact O-C 3.57Å; L340-S359 PolarHBondContact O-OG 2.91Å; L340-G363 CarbonylContact O-C 3.51Å; L340-G363 VanDerWaalsContact O-C 3.27Å; L340-G363 VanDerWaalsContact O-CA 3.29Å; L340-G363 WeakPolarHBondContact O-CA 3.37Å; L340-L364 PolarHBondContact O-N 2.9Å; L340-Q366 HydrophobicContact CD1-CB 4.32Å; L340-A367 HydrophobicContact CB-CB 4.29Å; L340-A367 HydrophobicContact CD1-CB 4.34Å; L340-L370 HydrophobicContact CD1-CD1 4.27Å |
| 341 | V | 80.6 | Confident | 68.8 | Low | 1 Ų | 1 | 73.6 Ų | 73.6 | 1% | 0.006 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -100.3 | -21.8 | -171.8 | 177.7 | 0 | 0 | 0 | 0 | 111.7 | Y278 N329 L332 C337 E338 S343 L364 A367 | Y278-V341 HydrophobicContact CE1-CG1 3.53Å; Y278-V341 VanDerWaalsContact CE1-O 3.25Å; Y278-V341 WeakPolarHBondContact CE1-O 3.41Å; Y278-V341 WeakPolarHBondContact OH-CG1 3.49Å; N329-V341 VanDerWaalsContact OD1-CG1 3.27Å; N329-V341 WeakPolarHBondContact OD1-CG1 3.26Å; L332-V341 HydrophobicContact CB-CG2 3.99Å; L332-V341 HydrophobicContact CD1-CG2 4.01Å; C337-V341 HydrophobicContact CB-CG2 4.28Å; C337-V341 WeakPolarHBondContact O-CG2 3.46Å; C337-V341 PolarHBondContact O-N 3.4Å; E338-V341 PolarHBondContact O-N 2.92Å; E338-V341 VanDerWaalsContact O-N 3.15Å; V341-S343 PolarHBondContact O-N 3.41Å; V341-L364 HydrophobicContact CG1-CD1 4.14Å; V341-L364 HydrophobicContact CG2-CD1 4.16Å; V341-A367 HydrophobicContact CG2-CB 3.86Å |
| 342 | F | 68.9 | Low | 66.5 | Low | 87 Ų | 87 | 77.8 Ų | 77.8 | 38% | 0.382 | 39% | 0.385 | S | S | . | . | trans | -58.8 | 111.4 | -172.8 | -165.5 | -98.4 | 0 | 0 | 0 | 113.6 | R281 E338 G344 T358 | R281-F342 PolarHBondContact NH1-O 3.1Å; R281-F342 PolarHBondContact NH2-O 3.21Å; E338-F342 VanDerWaalsContact O-CB 3.29Å; E338-F342 WeakPolarHBondContact O-CB 3.41Å; E338-F342 PolarHBondContact O-N 2.92Å; F342-G344 VanDerWaalsContact CE1-CA 3.46Å; F342-G344 WeakPolarHBondContact CE1-O 3.49Å; F342-T358 HydrophobicContact CD1-CG2 4.05Å | ||
| 343 | S | 56.1 | Low | 64 | Low | 5 Ų | 5 | 87.5 Ų | 87.5 | 4% | 0.035 | 43% | 0.428 | C | S | . | . | trans | -90.4 | -13.6 | 179.5 | 167.6 | 0 | 0 | 0 | 0 | 113 | K76 D81 P279 R281 V341 | K76-S343 PolarHBondContact NZ-OG 2.91Å; D81-S343 PolarHBondContact OD1-OG 3.27Å; D81-S343 VanDerWaalsContact OD2-CB 3.23Å; D81-S343 WeakPolarHBondContact OD2-CB 3.26Å; D81-S343 PolarHBondContact OD2-OG 3.03Å; P279-S343 VanDerWaalsContact CD-OG 3.28Å; P279-S343 WeakPolarHBondContact CD-OG 3.3Å; R281-S343 PolarHBondContact NH2-O 3.46Å; R281-S343 VanDerWaalsContact NH2-O 3.13Å; V341-S343 PolarHBondContact O-N 3.41Å | ||
| 344 | G | 53.2 | Low | 61.5 | Low | 19 Ų | 19 | 90.7 Ų | 90.7 | 20% | 0.196 | 44% | 0.443 | C | S | . | . | trans | -64.9 | 144.4 | -170.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | R281 F342 F346 | R281-G344 PolarHBondContact NH2-O 2.88Å; F342-G344 VanDerWaalsContact CE1-CA 3.46Å; F342-G344 WeakPolarHBondContact CE1-O 3.49Å; G344-F346 VanDerWaalsContact C-N 3.32Å; G344-F346 PolarHBondContact O-N 2.82Å | ||
| 345 | Y | 48.6 | Very low | 59.2 | Low | 178 Ų | 178 | 90.8 Ų | 90.8 | 70% | 0.698 | 44% | 0.443 | S | S | * | . | trans | -88.8 | 63.8 | 162.8 | -68 | -93.1 | 0 | 0 | 0 | 108.6 | F347 | Y345-F347 PolarHBondContact O-N 3.05Š| ||
| 346 | F | 42.1 | Very low | 56.7 | Low | 167 Ų | 167 | 91.7 Ų | 91.7 | 73% | 0.732 | 45% | 0.452 | S | S | * | . | trans | -69.4 | 126.9 | 169.6 | -159.1 | -102.9 | 0 | 0 | 0 | 107.5 | G344 L348 | G344-F346 VanDerWaalsContact C-N 3.32Å; G344-F346 PolarHBondContact O-N 2.82Å; F346-L348 PolarHBondContact O-N 3.47Å | ||
| 347 | F | 39.1 | Very low | 54.7 | Low | 172 Ų | 172 | 94 Ų | 94 | 75% | 0.754 | 46% | 0.463 | S | S | * | . | trans | -51.6 | 58.7 | -177.3 | -101.7 | -103.1 | 0 | 0 | 0 | 114.2 | Y345 F349 | Y345-F347 PolarHBondContact O-N 3.05Å; F347-F349 PolarHBondContact O-N 3.34Å | ||
| 348 | L | 41.3 | Very low | 52.8 | Low | 82 Ų | 82 | 95.9 Ų | 95.9 | 43% | 0.429 | 47% | 0.474 | S | S | . | . | trans | -82.2 | 54.9 | 162.3 | -67.5 | 177.6 | 0 | 0 | 0 | 109 | F346 I350 I351 V356 | F346-L348 PolarHBondContact O-N 3.47Å; L348-I350 PolarHBondContact O-N 2.9Å; L348-I351 HydrophobicContact CD2-CD1 3.94Å; L348-I351 HydrophobicContact CD2-CG1 4.14Å; L348-V356 HydrophobicContact CD1-CB 4.27Å; L348-V356 HydrophobicContact CD1-CG1 4.11Å; L348-V356 HydrophobicContact CD1-CG2 3.7Å | ||
| 349 | F | 39.8 | Very low | 51.7 | Low | 181 Ų | 181 | 90.7 Ų | 90.7 | 79% | 0.794 | 45% | 0.45 | S | S | * | . | trans | -68.8 | -12.1 | 160.7 | -116.2 | -86.5 | 0 | 0 | 0 | 111.2 | F347 | F347-F349 PolarHBondContact O-N 3.34Š| ||
| 350 | I | 42.9 | Very low | 51.9 | Low | 155 Ų | 155 | 88 Ų | 88 | 80% | 0.795 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -94.3 | -15.3 | -175.1 | -59.9 | -175.6 | 0 | 0 | 0 | 113.2 | L348 | L348-I350 PolarHBondContact O-N 2.9Š|
| 351 | I | 43 | Very low | 52.3 | Low | 73 Ų | 73 | 87.6 Ų | 87.6 | 37% | 0.374 | 43% | 0.429 | S | S | . | . | trans | -119.8 | 72.3 | -179.8 | -32.4 | 177.7 | 0 | 0 | 0 | 110.9 | L348 F353 L354 | L348-I351 HydrophobicContact CD2-CD1 3.94Å; L348-I351 HydrophobicContact CD2-CG1 4.14Å; I351-F353 HydrophobicContact CG2-CB 4.33Å; I351-F353 PolarHBondContact O-N 2.94Å; I351-L354 HydrophobicContact CB-CB 4.3Å; I351-L354 HydrophobicContact CG2-CB 3.63Å; I351-L354 PolarHBondContact O-N 3.4Å | ||
| 352 | S | 46.1 | Very low | 52.6 | Low | 117 Ų | 117 | 88.3 Ų | 88.3 | 82% | 0.818 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | 0.7 | 163.6 | -49.5 | 0 | 0 | 0 | 0 | 113.6 | ||
| 353 | F | 43 | Very low | 53.5 | Low | 203 Ų | 203 | 84.2 Ų | 84.2 | 89% | 0.89 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.8 | -6.4 | -177.9 | -87.1 | -84 | 0 | 0 | 0 | 115.1 | I351 | I351-F353 HydrophobicContact CG2-CB 4.33Å; I351-F353 PolarHBondContact O-N 2.94Å |
| 354 | L | 38.8 | Very low | 55.2 | Low | 112 Ų | 112 | 84 Ų | 84 | 59% | 0.586 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -111.6 | 117.2 | 176.7 | -147.2 | 74.6 | 0 | 0 | 0 | 107.4 | I351 V356 | I351-L354 HydrophobicContact CB-CB 4.3Å; I351-L354 HydrophobicContact CG2-CB 3.63Å; I351-L354 PolarHBondContact O-N 3.4Å; L354-V356 HydrophobicContact CB-CG2 3.91Å; L354-V356 HydrophobicContact CD2-CG2 3.99Å; L354-V356 HydrophobicContact CG-CG2 4.22Å; L354-V356 PolarHBondContact O-N 3.2Å |
| 355 | E | 42.4 | Very low | 57 | Low | 123 Ų | 123 | 83.2 Ų | 83.2 | 58% | 0.575 | 41% | 0.408 | S | S | * | . | trans | -63.1 | 80.2 | 165.6 | -159.1 | 179.9 | -176.9 | 0 | 0 | 106.6 | I357 | E355-I357 VanDerWaalsContact C-N 3.28Å; E355-I357 HydrophobicContact CB-CG1 4.44Å; E355-I357 HydrophobicContact CG-CD1 4.22Å; E355-I357 HydrophobicContact CG-CG1 3.92Å; E355-I357 WeakPolarHBondContact O-CG1 3.47Å; E355-I357 PolarHBondContact O-N 2.95Å | ||
| 356 | V | 40.4 | Very low | 59.1 | Low | 69 Ų | 69 | 75.1 Ų | 75.1 | 42% | 0.418 | 38% | 0.376 | S | S | . | . | trans | -76.7 | 92.2 | 176.5 | -175.7 | 0 | 0 | 0 | 0 | 106.6 | L348 L354 T358 | L348-V356 HydrophobicContact CD1-CB 4.27Å; L348-V356 HydrophobicContact CD1-CG1 4.11Å; L348-V356 HydrophobicContact CD1-CG2 3.7Å; L354-V356 HydrophobicContact CB-CG2 3.91Å; L354-V356 HydrophobicContact CD2-CG2 3.99Å; L354-V356 HydrophobicContact CG-CG2 4.22Å; L354-V356 PolarHBondContact O-N 3.2Å; V356-T358 VanDerWaalsContact C-N 3.32Å; V356-T358 HydrophobicContact CG1-CG2 4.12Å; V356-T358 PolarHBondContact O-N 3.48Å | ||
| 357 | I | 47.4 | Very low | 61.4 | Low | 52 Ų | 52 | 67.1 Ų | 67.1 | 27% | 0.267 | 34% | 0.341 | S | S | . | . | trans | -73.7 | 90.6 | -174.7 | -65.7 | 154.6 | 0 | 0 | 0 | 107.4 | A293 E355 | A293-I357 HydrophobicContact CB-CB 4.4Å; A293-I357 HydrophobicContact CB-CD1 3.19Å; A293-I357 HydrophobicContact CB-CG1 4.31Å; A293-I357 HydrophobicContact CB-CG2 4.2Å; E355-I357 VanDerWaalsContact C-N 3.28Å; E355-I357 HydrophobicContact CB-CG1 4.44Å; E355-I357 HydrophobicContact CG-CD1 4.22Å; E355-I357 HydrophobicContact CG-CG1 3.92Å; E355-I357 WeakPolarHBondContact O-CG1 3.47Å; E355-I357 PolarHBondContact O-N 2.95Å | ||
| 358 | T | 49.4 | Very low | 64.1 | Low | 39 Ų | 39 | 59.1 Ų | 59.1 | 24% | 0.239 | 31% | 0.306 | C | S | . | . | trans | -100.9 | 108.3 | 168.8 | 52.7 | 0 | 0 | 0 | 0 | 105.1 | R281 F342 V356 | R281-T358 WeakPolarHBondContact CD-O 3.28Å; R281-T358 PolarHBondContact NE-OG1 3.39Å; R281-T358 PolarHBondContact NH1-O 3.05Å; R281-T358 PolarHBondContact NH1-OG1 3.32Å; R281-T358 PolarHBondContact NH2-OG1 3.31Å; F342-T358 HydrophobicContact CD1-CG2 4.05Å; V356-T358 VanDerWaalsContact C-N 3.32Å; V356-T358 HydrophobicContact CG1-CG2 4.12Å; V356-T358 PolarHBondContact O-N 3.48Å | ||
| 359 | S | 63.3 | Low | 66.7 | Low | 4 Ų | 4 | 55.2 Ų | 55.2 | 3% | 0.028 | 29% | 0.286 | C | S | . | . | trans | -86 | 121.6 | 175.2 | 48.6 | 0 | 0 | 0 | 0 | 108.1 | L340 G363 | L340-S359 VanDerWaalsContact C-OG 3.28Å; L340-S359 WeakPolarHBondContact CA-OG 3.49Å; L340-S359 WeakPolarHBondContact CD2-OG 3.49Å; L340-S359 CarbonylContact O-C 3.57Å; L340-S359 PolarHBondContact O-OG 2.91Å; S359-G363 WeakPolarHBondContact OG-CA 3.33Å | ||
| 360 | G | 82.4 | Confident | 69.3 | Low | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | trans | -73.9 | -127.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110 | P279 A362 G363 L364 | P279-G360 WeakPolarHBondContact O-CA 3.27Å; G360-A362 VanDerWaalsContact C-N 3.28Å; G360-A362 PolarHBondContact O-N 2.97Å; G360-A362 VanDerWaalsContact O-N 3.16Å; G360-G363 PolarHBondContact O-N 3.13Å; G360-L364 PolarHBondContact O-N 2.95Å | ||
| 361 | A | 90 | Very high | 71.8 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -55.2 | -35.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116 | L246 L275 P279 G363 L364 M365 | L246-A361 HydrophobicContact CD1-CB 4.16Å; L246-A361 HydrophobicContact CD2-CB 3.89Å; L275-A361 HydrophobicContact CD2-CB 4.01Å; L275-A361 VanDerWaalsContact CD2-O 3.25Å; L275-A361 WeakPolarHBondContact CD2-O 3.38Å; P279-A361 PolarHBondContact O-N 2.86Å; A361-G363 VanDerWaalsContact C-N 3.3Å; A361-G363 PolarHBondContact O-N 3.48Å; A361-L364 WeakPolarHBondContact O-CB 3.4Å; A361-L364 PolarHBondContact O-N 3.17Å; A361-M365 PolarHBondContact O-N 3.3Å |
| 362 | A | 86.5 | Confident | 74.3 | Confident | 17 Ų | 17 | 35.9 Ų | 35.9 | 14% | 0.14 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -70.2 | -31.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112 | L246 Q284 I291 G360 M365 Q366 | L246-A362 HydrophobicContact CD2-CB 3.82Å; Q284-A362 VanDerWaalsContact NE2-CB 3.29Å; I291-A362 HydrophobicContact CD1-CB 3.78Å; I291-A362 WeakPolarHBondContact CD1-O 3.45Å; I291-A362 HydrophobicContact CG1-CB 4.13Å; G360-A362 VanDerWaalsContact C-N 3.28Å; G360-A362 PolarHBondContact O-N 2.97Å; G360-A362 VanDerWaalsContact O-N 3.16Å; A362-M365 WeakPolarHBondContact O-CB 3.36Å; A362-M365 PolarHBondContact O-N 2.94Å; A362-Q366 WeakPolarHBondContact O-CG 3.15Å; A362-Q366 PolarHBondContact O-N 2.82Å; A362-Q366 VanDerWaalsContact O-N 3.14Å |
| 363 | G | 86.9 | Confident | 76.6 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -69.3 | -45.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L340 S359 G360 A361 M365 Q366 A367 | L340-G363 CarbonylContact O-C 3.51Å; L340-G363 VanDerWaalsContact O-C 3.27Å; L340-G363 VanDerWaalsContact O-CA 3.29Å; L340-G363 WeakPolarHBondContact O-CA 3.37Å; S359-G363 WeakPolarHBondContact OG-CA 3.33Å; G360-G363 PolarHBondContact O-N 3.13Å; A361-G363 VanDerWaalsContact C-N 3.3Å; A361-G363 PolarHBondContact O-N 3.48Å; G363-M365 PolarHBondContact O-N 3.13Å; G363-Q366 WeakPolarHBondContact O-CB 3.06Å; G363-Q366 PolarHBondContact O-N 2.94Å; G363-Q366 VanDerWaalsContact O-N 3.13Å; G363-A367 WeakPolarHBondContact O-CB 3.5Å; G363-A367 PolarHBondContact O-N 3.28Å |
| 364 | L | 92 | Very high | 79 | Confident | 1 Ų | 1 | 20.6 Ų | 20.6 | 1% | 0.005 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -53.1 | -44.9 | 169.9 | 179.7 | 71.8 | 0 | 0 | 0 | 111.2 | L274 L275 Y278 L332 L340 V341 G360 A361 Q366 A367 V368 | L274-L364 HydrophobicContact CB-CD2 3.8Å; L275-L364 HydrophobicContact CD2-CD2 4.35Å; Y278-L364 HydrophobicContact CD1-CD2 4.38Å; Y278-L364 HydrophobicContact CD2-CD1 4.43Å; Y278-L364 HydrophobicContact CD2-CD2 3.26Å; Y278-L364 HydrophobicContact CD2-CG 4.36Å; Y278-L364 HydrophobicContact CE1-CD1 4.49Å; Y278-L364 HydrophobicContact CE2-CD1 4.04Å; Y278-L364 HydrophobicContact CE2-CD2 3.64Å; Y278-L364 HydrophobicContact CE2-CG 4.44Å; Y278-L364 HydrophobicContact CG-CD2 3.66Å; L332-L364 HydrophobicContact CD1-CD1 3.74Å; L340-L364 PolarHBondContact O-N 2.9Å; V341-L364 HydrophobicContact CG1-CD1 4.14Å; V341-L364 HydrophobicContact CG2-CD1 4.16Å; G360-L364 PolarHBondContact O-N 2.95Å; A361-L364 WeakPolarHBondContact O-CB 3.4Å; A361-L364 PolarHBondContact O-N 3.17Å; L364-Q366 VanDerWaalsContact C-N 3.34Å; L364-Q366 PolarHBondContact O-N 3.27Å; L364-A367 PolarHBondContact O-N 3Å; L364-V368 HydrophobicContact CD1-CG2 4.31Å; L364-V368 HydrophobicContact CG-CG2 4.39Å; L364-V368 WeakPolarHBondContact O-CB 3.5Å; L364-V368 VanDerWaalsContact O-CG2 3.27Å; L364-V368 WeakPolarHBondContact O-CG2 3.49Å; L364-V368 PolarHBondContact O-N 2.88Å |
| 365 | M | 92.6 | Very high | 81.7 | Confident | 3 Ų | 3 | 15.3 Ų | 15.3 | 2% | 0.015 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -59.6 | -44.7 | 178.1 | -167.1 | 60.9 | -178 | 0 | 0 | 112.2 | L246 W247 S249 G250 I271 L275 A361 A362 G363 V368 V369 | L246-M365 WeakPolarHBondContact O-CG 3.33Å; W247-M365 HydrophobicContact CE3-CE 4.08Å; W247-M365 HydrophobicContact CZ3-CE 4.29Å; S249-M365 WeakPolarHBondContact O-CE 3.36Å; G250-M365 VanDerWaalsContact CA-CE 3.49Å; I271-M365 HydrophobicContact CD1-CE 4.31Å; I271-M365 HydrophobicContact CG2-CE 3.92Å; I271-M365 HydrophobicContact CG2-SD 3.5Å; I271-M365 VanDerWaalsContact CG2-SD 3.5Å; L275-M365 HydrophobicContact CD1-SD 4.21Å; L275-M365 HydrophobicContact CD2-CB 4.26Å; L275-M365 HydrophobicContact CD2-SD 4.48Å; A361-M365 PolarHBondContact O-N 3.3Å; A362-M365 WeakPolarHBondContact O-CB 3.36Å; A362-M365 PolarHBondContact O-N 2.94Å; G363-M365 PolarHBondContact O-N 3.13Å; M365-V368 PolarHBondContact O-N 3.27Å; M365-V369 HydrophobicContact CE-CG2 4.3Å; M365-V369 VanDerWaalsContact O-CG2 3.3Å; M365-V369 WeakPolarHBondContact O-CG2 3.23Å; M365-V369 PolarHBondContact O-N 3.36Å |
| 366 | Q | 90.7 | Very high | 84.1 | Confident | 7 Ų | 7 | 12.3 Ų | 12.3 | 3% | 0.033 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -62.4 | -47.9 | 174.8 | -69.5 | -64 | -34.3 | 0 | 0 | 111.4 | S249 I291 L340 A362 G363 L364 V368 V369 L370 N399 Q401 | S249-Q366 PolarHBondContact OG-NE2 3.3Å; I291-Q366 HydrophobicContact CD1-CG 3.5Å; I291-Q366 VanDerWaalsContact CD1-CG 3.5Å; L340-Q366 HydrophobicContact CD1-CB 4.32Å; A362-Q366 WeakPolarHBondContact O-CG 3.15Å; A362-Q366 PolarHBondContact O-N 2.82Å; A362-Q366 VanDerWaalsContact O-N 3.14Å; G363-Q366 WeakPolarHBondContact O-CB 3.06Å; G363-Q366 PolarHBondContact O-N 2.94Å; G363-Q366 VanDerWaalsContact O-N 3.13Å; L364-Q366 VanDerWaalsContact C-N 3.34Å; L364-Q366 PolarHBondContact O-N 3.27Å; Q366-V368 VanDerWaalsContact C-N 3.3Å; Q366-V368 PolarHBondContact O-N 3.22Å; Q366-V369 PolarHBondContact O-N 3.49Å; Q366-L370 WeakPolarHBondContact O-CB 3.17Å; Q366-L370 WeakPolarHBondContact O-CG 3.44Å; Q366-L370 PolarHBondContact O-N 2.85Å; Q366-N399 PolarHBondContact NE2-O 3.4Å; Q366-Q401 HydrophobicContact CG-CB 4.34Å |
| 367 | A | 92.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -58.2 | -41.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L332 C337 L340 V341 G363 L364 L370 S371 | L332-A367 HydrophobicContact CD1-CB 4.18Å; L332-A367 HydrophobicContact CD2-CB 4.15Å; C337-A367 HydrophobicContact CB-CB 3.8Å; L340-A367 HydrophobicContact CB-CB 4.29Å; L340-A367 HydrophobicContact CD1-CB 4.34Å; V341-A367 HydrophobicContact CG2-CB 3.86Å; G363-A367 WeakPolarHBondContact O-CB 3.5Å; G363-A367 PolarHBondContact O-N 3.28Å; L364-A367 PolarHBondContact O-N 3Å; A367-L370 PolarHBondContact O-N 2.85Å; A367-S371 WeakPolarHBondContact O-CB 3.39Å; A367-S371 PolarHBondContact O-N 3.47Å |
| 368 | V | 95.4 | Very high | 88.2 | Confident | 3 Ų | 3 | 8.2 Ų | 8.2 | 2% | 0.018 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -67.7 | -42.7 | 176.9 | 171.1 | 0 | 0 | 0 | 0 | 111.9 | I271 L274 W328 L332 L364 M365 Q366 L370 S371 F372 | I271-V368 HydrophobicContact CG1-CG1 4.13Å; L274-V368 HydrophobicContact CD1-CG2 3.99Å; W328-V368 HydrophobicContact CE3-CG2 4.23Å; W328-V368 HydrophobicContact CZ3-CG1 4.25Å; W328-V368 HydrophobicContact CZ3-CG2 4.32Å; L332-V368 HydrophobicContact CD1-CG2 3.86Å; L364-V368 HydrophobicContact CD1-CG2 4.31Å; L364-V368 HydrophobicContact CG-CG2 4.39Å; L364-V368 WeakPolarHBondContact O-CB 3.5Å; L364-V368 VanDerWaalsContact O-CG2 3.27Å; L364-V368 WeakPolarHBondContact O-CG2 3.49Å; L364-V368 PolarHBondContact O-N 2.88Å; M365-V368 PolarHBondContact O-N 3.27Å; Q366-V368 VanDerWaalsContact C-N 3.3Å; Q366-V368 PolarHBondContact O-N 3.22Å; V368-L370 VanDerWaalsContact C-N 3.33Å; V368-S371 PolarHBondContact O-N 3.5Å; V368-S371 PolarHBondContact O-OG 3.29Å; V368-F372 HydrophobicContact CG1-CD2 4.18Å; V368-F372 HydrophobicContact CG1-CE1 4.14Å; V368-F372 HydrophobicContact CG1-CE2 3.45Å; V368-F372 VanDerWaalsContact CG1-CE2 3.45Å; V368-F372 HydrophobicContact CG1-CZ 3.41Å; V368-F372 VanDerWaalsContact CG1-CZ 3.41Å; V368-F372 WeakPolarHBondContact O-CD2 3.26Å; V368-F372 WeakPolarHBondContact O-CG 3.17Å; V368-F372 PolarHBondContact O-N 2.92Å |
| 369 | V | 94.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -65.5 | -39.9 | 176.6 | 173.8 | 0 | 0 | 0 | 0 | 110.9 | M365 Q366 S371 F372 G373 F397 V400 | M365-V369 HydrophobicContact CE-CG2 4.3Å; M365-V369 VanDerWaalsContact O-CG2 3.3Å; M365-V369 WeakPolarHBondContact O-CG2 3.23Å; M365-V369 PolarHBondContact O-N 3.36Å; Q366-V369 PolarHBondContact O-N 3.49Å; V369-S371 VanDerWaalsContact C-N 3.34Å; V369-F372 PolarHBondContact O-N 3.22Å; V369-G373 PolarHBondContact O-N 2.8Å; V369-F397 HydrophobicContact CG1-CB 4.44Å; V369-F397 HydrophobicContact CG1-CD1 4.12Å; V369-V400 HydrophobicContact CG1-CG2 3.84Å |
| 370 | L | 94.6 | Very high | 90.9 | Very high | 3 Ų | 3 | 12.4 Ų | 12.4 | 2% | 0.016 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -60.8 | -44.4 | 173.9 | -68.6 | 169 | 0 | 0 | 0 | 110.7 | L340 Q366 A367 V368 F372 G373 A374 F375 L382 V400 | L340-L370 HydrophobicContact CD1-CD1 4.27Å; Q366-L370 WeakPolarHBondContact O-CB 3.17Å; Q366-L370 WeakPolarHBondContact O-CG 3.44Å; Q366-L370 PolarHBondContact O-N 2.85Å; A367-L370 PolarHBondContact O-N 2.85Å; V368-L370 VanDerWaalsContact C-N 3.33Å; L370-F372 VanDerWaalsContact C-N 3.34Å; L370-F372 PolarHBondContact O-N 3.03Å; L370-G373 PolarHBondContact O-N 3.37Å; L370-A374 PolarHBondContact O-N 3.31Å; L370-A374 VanDerWaalsContact O-N 3.11Å; L370-F375 HydrophobicContact CB-CB 4.1Å; L370-F375 HydrophobicContact CD2-CB 3.34Å; L370-F375 HydrophobicContact CD2-CD2 4.37Å; L370-F375 HydrophobicContact CD2-CG 4.02Å; L370-F375 HydrophobicContact CG-CB 4.31Å; L370-F375 PolarHBondContact O-N 3.06Å; L370-L382 HydrophobicContact CD2-CD1 4.04Å; L370-V400 HydrophobicContact CD2-CG1 3.86Å |
| 371 | S | 95.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -66.2 | -33.5 | -179.9 | 82.8 | 0 | 0 | 0 | 0 | 113.2 | T303 T304 A367 V368 V369 G373 A374 | T303-S371 WeakPolarHBondContact CA-O 3.45Å; T304-S371 PolarHBondContact N-O 2.76Å; T304-S371 VanDerWaalsContact OG1-C 3.31Å; T304-S371 PolarHBondContact OG1-O 3.32Å; T304-S371 PolarHBondContact OG1-OG 2.57Å; A367-S371 WeakPolarHBondContact O-CB 3.39Å; A367-S371 PolarHBondContact O-N 3.47Å; V368-S371 PolarHBondContact O-N 3.5Å; V368-S371 PolarHBondContact O-OG 3.29Å; V369-S371 VanDerWaalsContact C-N 3.34Å; S371-G373 VanDerWaalsContact C-N 3.33Å; S371-G373 PolarHBondContact O-N 2.91Å; S371-A374 PolarHBondContact O-N 2.87Å |
| 372 | F | 95.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -63.9 | -37.7 | 175.4 | -68.7 | -32.9 | 0 | 0 | 0 | 113.2 | F251 I267 I271 T303 T304 L305 W312 W328 V368 V369 L370 F397 | F251-F372 HydrophobicContact CB-CD2 3.58Å; F251-F372 HydrophobicContact CB-CE2 3.97Å; F251-F372 AromaticContact CD1-CD2 3.84Å; F251-F372 HydrophobicContact CD1-CD2 3.84Å; F251-F372 HydrophobicContact CD1-CE2 4.23Å; F251-F372 HydrophobicContact CD1-CG 4.33Å; F251-F372 HydrophobicContact CG-CB 4.49Å; F251-F372 AromaticContact CG-CD2 3.74Å; F251-F372 HydrophobicContact CG-CD2 3.74Å; F251-F372 HydrophobicContact CG-CE2 4.36Å; F251-F372 HydrophobicContact CG-CG 4.4Å; I267-F372 HydrophobicContact CG2-CE2 4.01Å; I267-F372 HydrophobicContact CG2-CZ 3.99Å; I271-F372 HydrophobicContact CD1-CE2 3.99Å; I271-F372 HydrophobicContact CD1-CZ 4.38Å; I271-F372 HydrophobicContact CG1-CE2 4.45Å; I271-F372 HydrophobicContact CG1-CZ 4.45Å; T303-F372 WeakPolarHBondContact CB-O 3.39Å; T303-F372 PolarHBondContact OG1-O 2.73Å; T304-F372 VanDerWaalsContact OG1-CD1 3.26Å; T304-F372 WeakPolarHBondContact OG1-CD1 3.39Å; T304-F372 PolarHBondContact OG1-N 3.06Å; L305-F372 HydrophobicContact CD1-CB 4.11Å; L305-F372 WeakPolarHBondContact CD1-O 3.39Å; L305-F372 HydrophobicContact CD2-CB 4.12Å; L305-F372 HydrophobicContact CD2-CD1 3.41Å; L305-F372 VanDerWaalsContact CD2-CD1 3.41Å; L305-F372 HydrophobicContact CD2-CE1 3.97Å; L305-F372 HydrophobicContact CD2-CG 3.83Å; L305-F372 HydrophobicContact CG-CB 3.96Å; L305-F372 HydrophobicContact CG-CD1 3.86Å; L305-F372 HydrophobicContact CG-CG 4.18Å; W312-F372 HydrophobicContact CH2-CD1 4.47Å; W312-F372 AromaticContact CH2-CE1 3.43Å; W312-F372 HydrophobicContact CH2-CE1 3.43Å; W312-F372 VanDerWaalsContact CH2-CE1 3.43Å; W312-F372 AromaticContact CH2-CZ 3.87Å; W312-F372 HydrophobicContact CH2-CZ 3.87Å; W312-F372 HydrophobicContact CZ2-CD1 4.47Å; W312-F372 AromaticContact CZ2-CE1 3.76Å; W312-F372 HydrophobicContact CZ2-CE1 3.76Å; W328-F372 HydrophobicContact CH2-CD1 4.39Å; W328-F372 AromaticContact CH2-CE1 3.58Å; W328-F372 HydrophobicContact CH2-CE1 3.58Å; W328-F372 HydrophobicContact CH2-CZ 4.25Å; W328-F372 HydrophobicContact CZ2-CE1 4.34Å; W328-F372 HydrophobicContact CZ3-CE1 4.36Å; V368-F372 HydrophobicContact CG1-CD2 4.18Å; V368-F372 HydrophobicContact CG1-CE1 4.14Å; V368-F372 HydrophobicContact CG1-CE2 3.45Å; V368-F372 VanDerWaalsContact CG1-CE2 3.45Å; V368-F372 HydrophobicContact CG1-CZ 3.41Å; V368-F372 VanDerWaalsContact CG1-CZ 3.41Å; V368-F372 WeakPolarHBondContact O-CD2 3.26Å; V368-F372 WeakPolarHBondContact O-CG 3.17Å; V368-F372 PolarHBondContact O-N 2.92Å; V369-F372 PolarHBondContact O-N 3.22Å; L370-F372 VanDerWaalsContact C-N 3.34Å; L370-F372 PolarHBondContact O-N 3.03Å; F372-F397 HydrophobicContact CB-CE1 4.03Å |
| 373 | G | 93.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.071 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 7.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | V369 L370 S371 F375 F384 Q386 | V369-G373 PolarHBondContact O-N 2.8Å; L370-G373 PolarHBondContact O-N 3.37Å; S371-G373 VanDerWaalsContact C-N 3.33Å; S371-G373 PolarHBondContact O-N 2.91Å; G373-F375 PolarHBondContact O-N 2.87Å; G373-F375 VanDerWaalsContact O-N 3.13Å; G373-F384 WeakPolarHBondContact O-CD2 3.43Å; G373-F384 WeakPolarHBondContact O-CE2 3.42Å; G373-Q386 VanDerWaalsContact O-CG 3.29Å; G373-Q386 WeakPolarHBondContact O-CG 3.47Å |
| 374 | A | 94.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.071 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.6 | 39.4 | -167.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S301 L370 S371 K376 D385 | S301-A374 WeakPolarHBondContact O-CB 3.17Å; L370-A374 PolarHBondContact O-N 3.31Å; L370-A374 VanDerWaalsContact O-N 3.11Å; S371-A374 PolarHBondContact O-N 2.87Å; A374-K376 PolarHBondContact O-N 2.97Å; A374-D385 HydrophobicContact CB-CB 4.32Å; A374-D385 WeakPolarHBondContact CB-O 3.32Å; A374-D385 VanDerWaalsContact O-CB 3.3Å; A374-D385 WeakPolarHBondContact O-CB 3.45Å; A374-D385 PolarHBondContact O-N 2.97Å |
| 375 | F | 94.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 122.4 | -178.1 | -73.6 | -77.4 | 0 | 0 | 0 | 109.8 | Y299 L370 G373 L382 E383 F384 F397 I410 | Y299-F375 PolarHBondContact N-O 3.11Å; Y299-F375 CarbonylContact O-C 3.27Å; L370-F375 HydrophobicContact CB-CB 4.1Å; L370-F375 HydrophobicContact CD2-CB 3.34Å; L370-F375 HydrophobicContact CD2-CD2 4.37Å; L370-F375 HydrophobicContact CD2-CG 4.02Å; L370-F375 HydrophobicContact CG-CB 4.31Å; L370-F375 PolarHBondContact O-N 3.06Å; G373-F375 PolarHBondContact O-N 2.87Å; G373-F375 VanDerWaalsContact O-N 3.13Å; F375-L382 HydrophobicContact CB-CD1 4.02Å; F375-L382 HydrophobicContact CD1-CD1 4.12Å; F375-L382 HydrophobicContact CD1-CD2 4.45Å; F375-L382 HydrophobicContact CD1-CG 4.26Å; F375-L382 HydrophobicContact CG-CD1 4.43Å; F375-E383 CarbonylContact C-O 3.53Å; F375-E383 WeakPolarHBondContact CA-O 3.29Å; F375-E383 WeakPolarHBondContact CD1-O 3.33Å; F375-F384 HydrophobicContact CD1-CB 3.96Å; F375-F384 AromaticContact CD1-CD2 3.83Å; F375-F384 HydrophobicContact CD1-CD2 3.83Å; F375-F384 HydrophobicContact CD1-CG 4.12Å; F375-F384 HydrophobicContact CD2-CD2 4.47Å; F375-F384 HydrophobicContact CE1-CB 3.61Å; F375-F384 HydrophobicContact CE1-CD1 4.18Å; F375-F384 AromaticContact CE1-CD2 3.33Å; F375-F384 HydrophobicContact CE1-CD2 3.33Å; F375-F384 AromaticContact CE1-CE2 4Å; F375-F384 HydrophobicContact CE1-CE2 4Å; F375-F384 AromaticContact CE1-CG 3.45Å; F375-F384 HydrophobicContact CE1-CG 3.45Å; F375-F384 VanDerWaalsContact CE1-CG 3.45Å; F375-F384 HydrophobicContact CE2-CD2 4.08Å; F375-F384 HydrophobicContact CE2-CE2 4.03Å; F375-F384 HydrophobicContact CG-CD2 4.37Å; F375-F384 HydrophobicContact CZ-CD1 4.38Å; F375-F384 AromaticContact CZ-CD2 3.47Å; F375-F384 HydrophobicContact CZ-CD2 3.47Å; F375-F384 VanDerWaalsContact CZ-CD2 3.47Å; F375-F384 AromaticContact CZ-CE2 3.62Å; F375-F384 HydrophobicContact CZ-CE2 3.62Å; F375-F384 AromaticContact CZ-CG 3.89Å; F375-F384 HydrophobicContact CZ-CG 3.89Å; F375-F384 HydrophobicContact CZ-CZ 4.2Å; F375-F397 HydrophobicContact CE2-CB 4.32Å; F375-F397 AromaticContact CE2-CD1 3.52Å; F375-F397 HydrophobicContact CE2-CD1 3.52Å; F375-F397 HydrophobicContact CE2-CD2 4.18Å; F375-F397 AromaticContact CE2-CE1 3.74Å; F375-F397 HydrophobicContact CE2-CE1 3.74Å; F375-F397 HydrophobicContact CE2-CE2 4.38Å; F375-F397 AromaticContact CE2-CG 3.74Å; F375-F397 HydrophobicContact CE2-CG 3.74Å; F375-F397 HydrophobicContact CE2-CZ 4.16Å; F375-F397 HydrophobicContact CZ-CB 4.41Å; F375-F397 HydrophobicContact CZ-CD1 4.22Å; F375-F397 HydrophobicContact CZ-CD2 4.07Å; F375-F397 HydrophobicContact CZ-CE2 4.39Å; F375-F397 AromaticContact CZ-CG 3.97Å; F375-F397 HydrophobicContact CZ-CG 3.97Å; F375-I410 HydrophobicContact CE1-CD1 3.38Å; F375-I410 HydrophobicContact CZ-CD1 3.56Å |
| 376 | K | 92.5 | Very high | 92.1 | Very high | 60 Ų | 60 | 16 Ų | 16 | 26% | 0.261 | 8% | 0.084 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 99.6 | 172.2 | -59.4 | 174 | -175.8 | 163.9 | 0 | 108.5 | Y299 A374 E383 D385 | Y299-K376 WeakPolarHBondContact O-CA 3.26Å; Y299-K376 VanDerWaalsContact O-CG 3.26Å; Y299-K376 WeakPolarHBondContact O-CG 3.38Å; A374-K376 PolarHBondContact O-N 2.97Å; K376-E383 HydrophobicContact CB-CB 4.08Å; K376-E383 HydrophobicContact CB-CG 4.35Å; K376-E383 WeakPolarHBondContact CD-OE2 3.44Å; K376-E383 PolarHBondContact N-O 3.48Å; K376-E383 PolarHBondContact O-N 2.72Å; K376-D385 HydrophobicContact CD-CB 4.38Å; K376-D385 WeakPolarHBondContact CE-OD2 3.4Å; K376-D385 IonicContact NZ-OD2 3.55Å; K376-D385 PolarHBondContact NZ-OD2 2.87Å |
| 377 | H | 88.7 | Confident | 92 | Very high | 2 Ų | 2 | 20 Ų | 20 | 1% | 0.009 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 124.3 | 168.3 | -155.4 | -50.9 | 0 | 0 | 0 | 108.8 | R294 P295 H297 C298 L382 F402 | R294-H377 VanDerWaalsContact CG-CE1 3.43Å; R294-H377 WeakPolarHBondContact CG-CE1 3.36Å; P295-H377 HydrophobicContact CG-CB 3.9Å; H297-H377 CarbonylContact C-O 3.55Å; H297-H377 VanDerWaalsContact CA-O 3.26Å; H297-H377 WeakPolarHBondContact CA-O 3.34Å; C298-H377 PolarHBondContact N-O 2.82Å; C298-H377 VanDerWaalsContact N-O 3.08Å; C298-H377 WeakPolarHBondContact O-CA 3.35Å; C298-H377 WeakPolarHBondContact O-CB 3.37Å; C298-H377 PolarHBondContact O-N 2.75Å; H377-L382 HydrophobicContact CB-CD1 4.16Å; H377-F402 PolarHBondContact CE1-O 2.74Å; H377-F402 AromaticContact NE2-CD2 3.91Å; H377-F402 PolarHBondContact NE2-O 2.93Å; H377-F402 VanDerWaalsContact NE2-O 3.08Å |
| 378 | T | 86.4 | Confident | 91.9 | Very high | 34 Ų | 34 | 20.4 Ų | 20.4 | 21% | 0.209 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | -177.8 | 174.7 | 71.1 | 0 | 0 | 0 | 0 | 110.2 | R294 H296 H380 H381 | R294-T378 WeakPolarHBondContact CD-O 3.4Å; H296-T378 CarbonylContact O-C 3.48Å; H296-T378 WeakPolarHBondContact O-CA 3.41Å; T378-H380 PolarHBondContact O-N 3.19Å; T378-H380 PolarHBondContact OG1-N 2.68Å; T378-H381 PolarHBondContact N-O 3.22Å; T378-H381 PolarHBondContact OG1-CE1 3.28Å; T378-H381 PolarHBondContact OG1-N 3.18Å; T378-H381 PolarHBondContact OG1-ND1 2.92Å; T378-H381 VanDerWaalsContact OG1-ND1 3.13Å; T378-H381 PolarHBondContact OG1-O 2.98Å |
| 379 | A | 82.1 | Confident | 91.5 | Very high | 33 Ų | 33 | 28.8 Ų | 28.8 | 27% | 0.273 | 14% | 0.136 | S | C | . | . | S | Bend | trans | -67 | -15.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | R294 H296 | R294-A379 VanDerWaalsContact CD-C 3.44Å; R294-A379 WeakPolarHBondContact CD-O 3.38Å; R294-A379 PolarHBondContact NH1-O 2.69Å; H296-A379 PolarHBondContact O-N 2.87Å |
| 380 | H | 86.2 | Confident | 91.2 | Very high | 98 Ų | 98 | 32.2 Ų | 32.2 | 45% | 0.454 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -127.4 | -25.7 | -172.1 | -61.1 | -70.1 | 0 | 0 | 0 | 114.4 | T378 T488 H493 | T378-H380 PolarHBondContact O-N 3.19Å; T378-H380 PolarHBondContact OG1-N 2.68Å; H380-T488 PolarHBondContact O-OG1 3.45Å; H380-H493 VanDerWaalsContact CB-CE1 3.46Å; H380-H493 WeakPolarHBondContact CB-CE1 3.4Å; H380-H493 WeakPolarHBondContact CB-NE2 3.29Å; H380-H493 AromaticContact CG-CE1 3.95Å |
| 381 | H | 90.3 | Very high | 91 | Very high | 10 Ų | 10 | 32.5 Ų | 32.5 | 5% | 0.046 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 164.8 | -176.1 | 64.9 | -78.2 | 0 | 0 | 0 | 112 | T378 E383 Y486 I487 H493 | T378-H381 PolarHBondContact N-O 3.22Å; T378-H381 PolarHBondContact OG1-CE1 3.28Å; T378-H381 PolarHBondContact OG1-N 3.18Å; T378-H381 PolarHBondContact OG1-ND1 2.92Å; T378-H381 VanDerWaalsContact OG1-ND1 3.13Å; T378-H381 PolarHBondContact OG1-O 2.98Å; H381-E383 WeakPolarHBondContact CD2-CG 3.42Å; H381-E383 IonicContact CD2-OE1 3.42Å; H381-E383 IonicContact CE1-OE1 3.61Å; H381-E383 VanDerWaalsContact NE2-CG 3.31Å; H381-E383 WeakPolarHBondContact NE2-CG 3.47Å; H381-E383 IonicContact NE2-OE1 3.76Å; H381-E383 PolarHBondContact NE2-OE1 3.02Å; H381-Y486 AromaticContact CD2-CD1 3.93Å; H381-I487 CarbonylContact C-O 3.55Å; H381-I487 WeakPolarHBondContact CA-O 3.44Å; H381-I487 WeakPolarHBondContact CB-O 3.27Å; H381-H493 AromaticContact CE1-NE2 3.66Å; H381-H493 AromaticContact CG-NE2 3.7Å; H381-H493 AromaticContact ND1-CD2 3.78Å; H381-H493 AromaticContact ND1-CE1 3.84Å; H381-H493 AromaticContact ND1-NE2 2.88Å; H381-H493 PolarHBondContact ND1-NE2 3.18Å |
| 382 | L | 92.7 | Very high | 90.8 | Very high | 3 Ų | 3 | 34.6 Ų | 34.6 | 2% | 0.016 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 125 | 173.4 | 175.8 | 68.3 | 0 | 0 | 0 | 108.5 | L370 F375 H377 V400 F402 Y486 I487 | L370-L382 HydrophobicContact CD2-CD1 4.04Å; F375-L382 HydrophobicContact CB-CD1 4.02Å; F375-L382 HydrophobicContact CD1-CD1 4.12Å; F375-L382 HydrophobicContact CD1-CD2 4.45Å; F375-L382 HydrophobicContact CD1-CG 4.26Å; F375-L382 HydrophobicContact CG-CD1 4.43Å; H377-L382 HydrophobicContact CB-CD1 4.16Å; L382-V400 HydrophobicContact CD2-CG1 4.01Å; L382-F402 HydrophobicContact CB-CD2 3.9Å; L382-F402 HydrophobicContact CB-CE2 4.07Å; L382-Y486 CarbonylContact O-C 3.44Å; L382-Y486 WeakPolarHBondContact O-CA 3.36Å; L382-I487 HydrophobicContact CB-CB 4.39Å; L382-I487 PolarHBondContact N-O 3.38Å; L382-I487 PolarHBondContact O-N 3.38Å |
| 383 | E | 93.4 | Very high | 90.6 | Very high | 29 Ų | 29 | 35.9 Ų | 35.9 | 14% | 0.136 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 139.5 | 175.2 | -48.3 | 177.9 | 178.3 | 0 | 0 | 109.9 | F375 K376 H381 P483 L485 Y486 | F375-E383 CarbonylContact C-O 3.53Å; F375-E383 WeakPolarHBondContact CA-O 3.29Å; F375-E383 WeakPolarHBondContact CD1-O 3.33Å; K376-E383 HydrophobicContact CB-CB 4.08Å; K376-E383 HydrophobicContact CB-CG 4.35Å; K376-E383 WeakPolarHBondContact CD-OE2 3.44Å; K376-E383 PolarHBondContact N-O 3.48Å; K376-E383 PolarHBondContact O-N 2.72Å; H381-E383 WeakPolarHBondContact CD2-CG 3.42Å; H381-E383 IonicContact CD2-OE1 3.42Å; H381-E383 IonicContact CE1-OE1 3.61Å; H381-E383 VanDerWaalsContact NE2-CG 3.31Å; H381-E383 WeakPolarHBondContact NE2-CG 3.47Å; H381-E383 IonicContact NE2-OE1 3.76Å; H381-E383 PolarHBondContact NE2-OE1 3.02Å; E383-P483 HydrophobicContact CB-CB 3.93Å; E383-P483 HydrophobicContact CB-CG 4Å; E383-P483 HydrophobicContact CG-CG 4.43Å; E383-P483 WeakPolarHBondContact OE2-CG 3.4Å; E383-L485 CarbonylContact C-O 3.53Å; E383-L485 WeakPolarHBondContact CA-O 3.49Å; E383-Y486 HydrophobicContact CB-CD1 4.42Å; E383-Y486 HydrophobicContact CB-CE1 4.49Å; E383-Y486 HydrophobicContact CG-CD1 3.76Å; E383-Y486 HydrophobicContact CG-CE1 3.84Å |
| 384 | F | 95 | Very high | 90.6 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 0% | 0.004 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 93.7 | 168.4 | -169.7 | -164.7 | 0 | 0 | 0 | 108.7 | G373 F375 Q386 F397 I410 V412 L422 P483 I484 L485 | G373-F384 WeakPolarHBondContact O-CD2 3.43Å; G373-F384 WeakPolarHBondContact O-CE2 3.42Å; F375-F384 HydrophobicContact CD1-CB 3.96Å; F375-F384 AromaticContact CD1-CD2 3.83Å; F375-F384 HydrophobicContact CD1-CD2 3.83Å; F375-F384 HydrophobicContact CD1-CG 4.12Å; F375-F384 HydrophobicContact CD2-CD2 4.47Å; F375-F384 HydrophobicContact CE1-CB 3.61Å; F375-F384 HydrophobicContact CE1-CD1 4.18Å; F375-F384 AromaticContact CE1-CD2 3.33Å; F375-F384 HydrophobicContact CE1-CD2 3.33Å; F375-F384 AromaticContact CE1-CE2 4Å; F375-F384 HydrophobicContact CE1-CE2 4Å; F375-F384 AromaticContact CE1-CG 3.45Å; F375-F384 HydrophobicContact CE1-CG 3.45Å; F375-F384 VanDerWaalsContact CE1-CG 3.45Å; F375-F384 HydrophobicContact CE2-CD2 4.08Å; F375-F384 HydrophobicContact CE2-CE2 4.03Å; F375-F384 HydrophobicContact CG-CD2 4.37Å; F375-F384 HydrophobicContact CZ-CD1 4.38Å; F375-F384 AromaticContact CZ-CD2 3.47Å; F375-F384 HydrophobicContact CZ-CD2 3.47Å; F375-F384 VanDerWaalsContact CZ-CD2 3.47Å; F375-F384 AromaticContact CZ-CE2 3.62Å; F375-F384 HydrophobicContact CZ-CE2 3.62Å; F375-F384 AromaticContact CZ-CG 3.89Å; F375-F384 HydrophobicContact CZ-CG 3.89Å; F375-F384 HydrophobicContact CZ-CZ 4.2Å; F384-Q386 VanDerWaalsContact C-N 3.26Å; F384-Q386 HydrophobicContact CD2-CB 4.24Å; F384-Q386 HydrophobicContact CD2-CG 3.76Å; F384-Q386 HydrophobicContact CE2-CB 3.88Å; F384-Q386 HydrophobicContact CE2-CG 3.15Å; F384-Q386 HydrophobicContact CZ-CB 4.17Å; F384-Q386 HydrophobicContact CZ-CG 3.74Å; F384-Q386 PolarHBondContact O-N 3.34Å; F384-Q386 VanDerWaalsContact O-N 3.13Å; F384-F397 HydrophobicContact CE2-CE2 4.07Å; F384-F397 HydrophobicContact CE2-CZ 4.13Å; F384-F397 HydrophobicContact CZ-CD2 4.4Å; F384-F397 AromaticContact CZ-CE2 3.63Å; F384-F397 HydrophobicContact CZ-CE2 3.63Å; F384-F397 HydrophobicContact CZ-CZ 4.1Å; F384-I410 HydrophobicContact CD1-CG2 4.29Å; F384-I410 HydrophobicContact CE1-CG2 4.04Å; F384-V412 HydrophobicContact CE1-CG2 4.27Å; F384-V412 HydrophobicContact CZ-CG2 4.32Å; F384-L422 HydrophobicContact CD1-CD1 4.21Å; F384-L422 HydrophobicContact CD1-CD2 4.46Å; F384-L422 HydrophobicContact CE1-CD1 4.44Å; F384-L422 HydrophobicContact CE1-CD2 3.88Å; F384-P483 WeakPolarHBondContact O-CA 3.37Å; F384-I484 HydrophobicContact CB-CG1 4.16Å; F384-I484 HydrophobicContact CD1-CD1 3.53Å; F384-I484 HydrophobicContact CD1-CG1 3.82Å; F384-I484 HydrophobicContact CE1-CD1 3.62Å; F384-I484 HydrophobicContact CE1-CG1 4.42Å; F384-I484 HydrophobicContact CG-CD1 4.07Å; F384-I484 HydrophobicContact CG-CG1 4.02Å; F384-I484 HydrophobicContact CZ-CD1 4.25Å; F384-I484 WeakPolarHBondContact O-CG1 3.39Å; F384-I484 PolarHBondContact O-N 3.48Å; F384-L485 HydrophobicContact CB-CB 3.8Å; F384-L485 HydrophobicContact CB-CD2 4.48Å; F384-L485 HydrophobicContact CD1-CB 4.31Å; F384-L485 HydrophobicContact CD1-CD2 4.42Å; F384-L485 PolarHBondContact N-O 3.4Å |
| 385 | D | 92.9 | Very high | 90.7 | Very high | 43 Ų | 43 | 39.8 Ų | 39.8 | 23% | 0.23 | 19% | 0.19 | C | C | . | . | trans | -90.5 | 51 | -173.1 | -163.3 | 29.2 | 0 | 0 | 0 | 112.4 | A374 K376 P483 | A374-D385 HydrophobicContact CB-CB 4.32Å; A374-D385 WeakPolarHBondContact CB-O 3.32Å; A374-D385 VanDerWaalsContact O-CB 3.3Å; A374-D385 WeakPolarHBondContact O-CB 3.45Å; A374-D385 PolarHBondContact O-N 2.97Å; K376-D385 HydrophobicContact CD-CB 4.38Å; K376-D385 WeakPolarHBondContact CE-OD2 3.4Å; K376-D385 IonicContact NZ-OD2 3.55Å; K376-D385 PolarHBondContact NZ-OD2 2.87Å; D385-P483 HydrophobicContact CB-CB 4.37Å; D385-P483 HydrophobicContact CB-CG 4.18Å | ||
| 386 | Q | 91 | Very high | 90.7 | Very high | 11 Ų | 11 | 41 Ų | 41 | 5% | 0.051 | 20% | 0.196 | C | C | . | . | trans | -96.9 | 146.4 | 172.7 | -72.7 | -65 | -88.2 | 0 | 0 | 111.9 | T303 G373 F384 L391 I484 | T303-Q386 VanDerWaalsContact CB-NE2 3.35Å; G373-Q386 VanDerWaalsContact O-CG 3.29Å; G373-Q386 WeakPolarHBondContact O-CG 3.47Å; F384-Q386 VanDerWaalsContact C-N 3.26Å; F384-Q386 HydrophobicContact CD2-CB 4.24Å; F384-Q386 HydrophobicContact CD2-CG 3.76Å; F384-Q386 HydrophobicContact CE2-CB 3.88Å; F384-Q386 HydrophobicContact CE2-CG 3.15Å; F384-Q386 HydrophobicContact CZ-CB 4.17Å; F384-Q386 HydrophobicContact CZ-CG 3.74Å; F384-Q386 PolarHBondContact O-N 3.34Å; F384-Q386 VanDerWaalsContact O-N 3.13Å; Q386-L391 HydrophobicContact CB-CD1 4.42Å; Q386-L391 HydrophobicContact CB-CD2 4.29Å; Q386-L391 HydrophobicContact CB-CG 4.43Å; Q386-L391 HydrophobicContact CG-CD2 4.4Å; Q386-I484 HydrophobicContact CB-CD1 3.89Å; Q386-I484 HydrophobicContact CB-CG1 4.48Å; Q386-I484 WeakPolarHBondContact O-CG2 3.28Å | ||
| 387 | Q | 90.1 | Very high | 90.9 | Very high | 89 Ų | 89 | 38.3 Ų | 38.3 | 42% | 0.416 | 18% | 0.184 | S | C | . | . | trans | -83.5 | 135.3 | 170.9 | -62.6 | -171.1 | 24.4 | 0 | 0 | 110.1 | R389 E390 | Q387-R389 PolarHBondContact O-N 2.91Å; Q387-E390 HydrophobicContact CB-CG 4.31Å; Q387-E390 PolarHBondContact O-N 3.28Å | ||
| 388 | P | 89.3 | Confident | 91.1 | Very high | 10 Ų | 10 | 41 Ų | 41 | 7% | 0.065 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -53.9 | -30.7 | 177 | -27.7 | 34.1 | 0 | 0 | 0 | 113.6 | E390 L391 L477 I484 A509 H512 | P388-E390 PolarHBondContact O-N 2.87Å; P388-L391 PolarHBondContact O-N 3.35Å; P388-L477 HydrophobicContact CG-CD1 4.31Å; P388-I484 HydrophobicContact CG-CG2 3.88Å; P388-A509 HydrophobicContact CB-CB 3.63Å; P388-A509 HydrophobicContact CG-CB 4.06Å; P388-H512 PolarHBondContact O-CE1 3.27Å |
| 389 | R | 87.4 | Confident | 91.2 | Very high | 178 Ų | 178 | 40.8 Ų | 40.8 | 67% | 0.672 | 19% | 0.192 | S | C | * | . | G | 310 helix | trans | -62.2 | -28.3 | 177.6 | -63.7 | -179.9 | -178.3 | 176.2 | 1.4 | 113.4 | Q387 | Q387-R389 PolarHBondContact O-N 2.91Š|
| 390 | E | 87.4 | Confident | 91.7 | Very high | 73 Ų | 73 | 39.2 Ų | 39.2 | 34% | 0.341 | 18% | 0.179 | S | C | . | . | G | 310 helix | trans | -85.5 | -15.8 | -178.4 | -62.8 | 179.9 | 172.6 | 0 | 0 | 112.3 | T303 Q387 P388 H392 | T303-E390 WeakPolarHBondContact CG2-OE2 3.41Å; Q387-E390 HydrophobicContact CB-CG 4.31Å; Q387-E390 PolarHBondContact O-N 3.28Å; P388-E390 PolarHBondContact O-N 2.87Å; E390-H392 PolarHBondContact O-CE1 3.5Å; E390-H392 VanDerWaalsContact O-CE1 3.25Å; E390-H392 PolarHBondContact O-N 3.44Å; E390-H392 PolarHBondContact O-ND1 2.92Å |
| 391 | L | 91.9 | Very high | 91.6 | Very high | 8 Ų | 8 | 35.9 Ų | 35.9 | 4% | 0.042 | 16% | 0.164 | C | C | . | . | trans | -86.1 | 44.9 | -176 | -64.8 | -175.5 | 0 | 0 | 0 | 113.7 | Q386 P388 R393 V412 A420 L475 I484 H512 | Q386-L391 HydrophobicContact CB-CD1 4.42Å; Q386-L391 HydrophobicContact CB-CD2 4.29Å; Q386-L391 HydrophobicContact CB-CG 4.43Å; Q386-L391 HydrophobicContact CG-CD2 4.4Å; P388-L391 PolarHBondContact O-N 3.35Å; L391-R393 VanDerWaalsContact C-N 3.27Å; L391-R393 PolarHBondContact O-N 2.95Å; L391-V412 HydrophobicContact CB-CG1 3.95Å; L391-V412 HydrophobicContact CD1-CG1 4.17Å; L391-V412 HydrophobicContact CD1-CG2 4.4Å; L391-V412 HydrophobicContact CD2-CG1 4.23Å; L391-V412 HydrophobicContact CD2-CG2 4.19Å; L391-V412 HydrophobicContact CG-CG1 4.34Å; L391-A420 HydrophobicContact CB-CB 4.2Å; L391-A420 WeakPolarHBondContact O-CB 3.28Å; L391-L475 HydrophobicContact CD1-CD1 3.86Å; L391-L475 HydrophobicContact CD1-CD2 4.25Å; L391-I484 HydrophobicContact CD1-CD1 3.57Å; L391-H512 PolarHBondContact O-NE2 2.79Å; L391-H512 VanDerWaalsContact O-NE2 3.16Å | ||
| 392 | H | 90.5 | Very high | 91.4 | Very high | 44 Ų | 44 | 35.4 Ų | 35.4 | 20% | 0.204 | 16% | 0.162 | C | C | . | . | trans | -84 | 9.1 | -176.8 | 57 | -89.9 | 0 | 0 | 0 | 114.2 | E390 V516 I517 H520 | E390-H392 PolarHBondContact O-CE1 3.5Å; E390-H392 VanDerWaalsContact O-CE1 3.25Å; E390-H392 PolarHBondContact O-N 3.44Å; E390-H392 PolarHBondContact O-ND1 2.92Å; H392-V516 HydrophobicContact CB-CG1 4.28Å; H392-I517 HydrophobicContact CB-CD1 4.07Å; H392-I517 WeakPolarHBondContact O-CD1 3.32Å; H392-H520 AromaticContact CD2-CD2 3.34Å; H392-H520 PolarHBondContact CD2-CD2 2.91Å; H392-H520 AromaticContact CD2-CE1 3.63Å; H392-H520 AromaticContact CD2-CG 3.89Å; H392-H520 AromaticContact CD2-NE2 3.2Å; H392-H520 PolarHBondContact CD2-NE2 3.46Å; H392-H520 AromaticContact NE2-CD2 3.93Å; H392-H520 AromaticContact NE2-CE1 3.39Å; H392-H520 PolarHBondContact NE2-CE1 3.37Å; H392-H520 AromaticContact NE2-NE2 3.3Å; H392-H520 PolarHBondContact NE2-NE2 2.68Å | ||
| 393 | R | 92.8 | Very high | 90.8 | Very high | 27 Ų | 27 | 36.5 Ų | 36.5 | 10% | 0.102 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -139.1 | 148.3 | 178.5 | -66 | -167.1 | -71.7 | 167 | -8.7 | 111.4 | I253 A254 S256 I262 L391 C395 H520 | I253-R393 HydrophobicContact CD1-CB 4.33Å; I253-R393 VanDerWaalsContact CD1-NH2 3.27Å; I253-R393 HydrophobicContact CG1-CB 4.18Å; A254-R393 PolarHBondContact O-NH1 3.33Å; A254-R393 VanDerWaalsContact O-NH1 3.08Å; S256-R393 VanDerWaalsContact CB-NH1 3.31Å; I262-R393 PolarHBondContact O-NH1 2.95Å; I262-R393 PolarHBondContact O-NH2 2.84Å; L391-R393 VanDerWaalsContact C-N 3.27Å; L391-R393 PolarHBondContact O-N 2.95Å; R393-C395 PolarHBondContact O-N 3.11Å; R393-H520 HydrophobicContact CG-CB 4.46Å |
| 394 | D | 93.2 | Very high | 89.9 | Confident | 71 Ų | 71 | 41 Ų | 41 | 38% | 0.38 | 19% | 0.187 | S | C | . | . | trans | -62.9 | 126.4 | 169.6 | -55 | -25.5 | 0 | 0 | 0 | 109.3 | A254 V412 Q413 V414 | A254-D394 HydrophobicContact CB-CB 4.11Å; A254-D394 PolarHBondContact N-O 3.18Å; D394-V412 CarbonylContact C-O 3.21Å; D394-V412 VanDerWaalsContact CA-O 3.24Å; D394-V412 WeakPolarHBondContact CA-O 3.32Å; D394-Q413 WeakPolarHBondContact OD1-CA 3.4Å; D394-V414 PolarHBondContact OD1-N 3.33Å | ||
| 395 | C | 95.2 | Very high | 89.1 | Confident | 12 Ų | 12 | 41.3 Ų | 41.3 | 8% | 0.081 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 159.9 | 175.8 | 75.3 | 0 | 0 | 0 | 0 | 111.8 | F251 S252 I253 R393 W411 V412 | F251-C395 HydrophobicContact CE2-CB 3.72Å; F251-C395 HydrophobicContact CZ-CB 3.85Å; S252-C395 CarbonylContact O-C 3.59Å; S252-C395 WeakPolarHBondContact O-CA 3.36Å; S252-C395 WeakPolarHBondContact O-CB 3.42Å; I253-C395 HydrophobicContact CB-CB 4.21Å; I253-C395 HydrophobicContact CD1-CB 4.26Å; I253-C395 HydrophobicContact CG1-CB 4.02Å; R393-C395 PolarHBondContact O-N 3.11Å; C395-W411 WeakPolarHBondContact O-CA 3.48Å; C395-V412 PolarHBondContact N-O 2.95Å; C395-V412 PolarHBondContact O-N 2.82Å; C395-V412 VanDerWaalsContact SG-CB 3.56Å; C395-V412 WeakPolarHBondContact SG-CG2 3.29Å |
| 396 | L | 95.6 | Very high | 88.7 | Confident | 26 Ų | 26 | 39.7 Ų | 39.7 | 14% | 0.136 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 115.2 | -173 | 169.8 | 53.9 | 0 | 0 | 0 | 109.6 | F251 S252 R398 N409 W411 | F251-L396 WeakPolarHBondContact CA-O 3.33Å; S252-L396 PolarHBondContact N-O 3.35Å; S252-L396 PolarHBondContact O-N 2.9Å; L396-R398 HydrophobicContact CD1-CG 4Å; L396-R398 HydrophobicContact CD2-CG 3.73Å; L396-R398 HydrophobicContact CG-CG 3.55Å; L396-N409 HydrophobicContact CD1-CB 4.43Å; L396-W411 HydrophobicContact CD1-CD2 3.58Å; L396-W411 HydrophobicContact CD1-CE3 4.44Å; L396-W411 HydrophobicContact CD1-CG 3.62Å; L396-W411 HydrophobicContact CD1-CZ2 3.92Å; L396-W411 HydrophobicContact CD2-CD2 4.25Å; L396-W411 HydrophobicContact CD2-CE3 4.44Å; L396-W411 HydrophobicContact CD2-CH2 3.8Å; L396-W411 HydrophobicContact CD2-CZ2 3.57Å; L396-W411 HydrophobicContact CD2-CZ3 4.25Å; L396-W411 HydrophobicContact CG-CD2 4.32Å; L396-W411 HydrophobicContact CG-CZ2 4.37Å |
| 397 | F | 96.2 | Very high | 88.6 | Confident | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.009 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 110 | 166.6 | -54.7 | -87.2 | 0 | 0 | 0 | 108.3 | F251 V369 F372 F375 F384 V400 N409 I410 V412 | F251-F397 AromaticContact CD2-CD1 3.53Å; F251-F397 HydrophobicContact CD2-CD1 3.53Å; F251-F397 AromaticContact CD2-CE1 3.45Å; F251-F397 HydrophobicContact CD2-CE1 3.45Å; F251-F397 VanDerWaalsContact CD2-CE1 3.45Å; F251-F397 HydrophobicContact CD2-CG 4.18Å; F251-F397 HydrophobicContact CD2-CZ 4.01Å; F251-F397 AromaticContact CE2-CD1 3.96Å; F251-F397 HydrophobicContact CE2-CD1 3.96Å; F251-F397 AromaticContact CE2-CE1 3.44Å; F251-F397 HydrophobicContact CE2-CE1 3.44Å; F251-F397 VanDerWaalsContact CE2-CE1 3.44Å; F251-F397 HydrophobicContact CE2-CE2 4.1Å; F251-F397 AromaticContact CE2-CZ 3.53Å; F251-F397 HydrophobicContact CE2-CZ 3.53Å; V369-F397 HydrophobicContact CG1-CB 4.44Å; V369-F397 HydrophobicContact CG1-CD1 4.12Å; F372-F397 HydrophobicContact CB-CE1 4.03Å; F375-F397 HydrophobicContact CE2-CB 4.32Å; F375-F397 AromaticContact CE2-CD1 3.52Å; F375-F397 HydrophobicContact CE2-CD1 3.52Å; F375-F397 HydrophobicContact CE2-CD2 4.18Å; F375-F397 AromaticContact CE2-CE1 3.74Å; F375-F397 HydrophobicContact CE2-CE1 3.74Å; F375-F397 HydrophobicContact CE2-CE2 4.38Å; F375-F397 AromaticContact CE2-CG 3.74Å; F375-F397 HydrophobicContact CE2-CG 3.74Å; F375-F397 HydrophobicContact CE2-CZ 4.16Å; F375-F397 HydrophobicContact CZ-CB 4.41Å; F375-F397 HydrophobicContact CZ-CD1 4.22Å; F375-F397 HydrophobicContact CZ-CD2 4.07Å; F375-F397 HydrophobicContact CZ-CE2 4.39Å; F375-F397 AromaticContact CZ-CG 3.97Å; F375-F397 HydrophobicContact CZ-CG 3.97Å; F384-F397 HydrophobicContact CE2-CE2 4.07Å; F384-F397 HydrophobicContact CE2-CZ 4.13Å; F384-F397 HydrophobicContact CZ-CD2 4.4Å; F384-F397 AromaticContact CZ-CE2 3.63Å; F384-F397 HydrophobicContact CZ-CE2 3.63Å; F384-F397 HydrophobicContact CZ-CZ 4.1Å; F397-V400 HydrophobicContact CB-CG2 3.91Å; F397-N409 CarbonylContact O-C 3.57Å; F397-N409 WeakPolarHBondContact O-CA 3.27Å; F397-N409 WeakPolarHBondContact O-CB 3.36Å; F397-I410 HydrophobicContact CB-CB 4.31Å; F397-I410 HydrophobicContact CD2-CB 4.27Å; F397-I410 HydrophobicContact CD2-CG2 4.42Å; F397-I410 PolarHBondContact N-O 3.06Å; F397-I410 PolarHBondContact O-N 3.18Å; F397-V412 HydrophobicContact CE2-CG2 4.33Å |
| 398 | R | 93 | Very high | 88.6 | Confident | 58 Ų | 58 | 35.1 Ų | 35.1 | 22% | 0.219 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 135.8 | -178.8 | -58.5 | -169.7 | -60.9 | -80 | 5.4 | 110.5 | I248 S249 G250 S252 L396 V400 N409 | I248-R398 WeakPolarHBondContact O-CB 3.41Å; S249-R398 VanDerWaalsContact CA-O 3.3Å; S249-R398 WeakPolarHBondContact CA-O 3.31Å; G250-R398 PolarHBondContact N-O 2.92Å; G250-R398 VanDerWaalsContact N-O 3.14Å; G250-R398 PolarHBondContact O-N 2.92Å; S252-R398 PolarHBondContact OG-NH1 3.36Å; L396-R398 HydrophobicContact CD1-CG 4Å; L396-R398 HydrophobicContact CD2-CG 3.73Å; L396-R398 HydrophobicContact CG-CG 3.55Å; R398-V400 VanDerWaalsContact C-N 3.29Å; R398-V400 PolarHBondContact O-N 3.19Å; R398-N409 WeakPolarHBondContact CA-OD1 3.28Å |
| 399 | N | 90 | Very high | 88.8 | Confident | 30 Ų | 30 | 35.3 Ų | 35.3 | 16% | 0.16 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 48.8 | 51.3 | 167.4 | -161.3 | 70 | 0 | 0 | 0 | 112.1 | I248 S249 Q366 Q401 A407 V408 N409 | I248-N399 HydrophobicContact CG2-CB 3.89Å; S249-N399 WeakPolarHBondContact OG-CB 3.22Å; S249-N399 PolarHBondContact OG-ND2 2.69Å; S249-N399 PolarHBondContact OG-O 2.97Å; Q366-N399 PolarHBondContact NE2-O 3.4Å; N399-Q401 PolarHBondContact O-N 2.88Å; N399-A407 HydrophobicContact CB-CB 4.45Å; N399-A407 WeakPolarHBondContact OD1-CB 3.41Å; N399-V408 PolarHBondContact N-O 2.98Å; N399-N409 PolarHBondContact N-OD1 2.93Å |
| 400 | V | 91.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 113.4 | 170.4 | -178.6 | 0 | 0 | 0 | 0 | 106.9 | V369 L370 L382 F397 R398 F402 A407 V408 | V369-V400 HydrophobicContact CG1-CG2 3.84Å; L370-V400 HydrophobicContact CD2-CG1 3.86Å; L382-V400 HydrophobicContact CD2-CG1 4.01Å; F397-V400 HydrophobicContact CB-CG2 3.91Å; R398-V400 VanDerWaalsContact C-N 3.29Å; R398-V400 PolarHBondContact O-N 3.19Å; V400-F402 PolarHBondContact O-N 3.08Å; V400-A407 CarbonylContact O-C 3.59Å; V400-A407 VanDerWaalsContact O-CA 3.25Å; V400-A407 WeakPolarHBondContact O-CA 3.3Å; V400-V408 PolarHBondContact N-O 2.97Å; V400-V408 PolarHBondContact O-N 3.01Å |
| 401 | Q | 85.6 | Confident | 89.5 | Confident | 28 Ų | 28 | 27.3 Ų | 27.3 | 13% | 0.131 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 125.3 | -176.2 | -165.8 | 72.3 | 26.1 | 0 | 0 | 109.3 | Q366 N399 V403 I406 | Q366-Q401 HydrophobicContact CG-CB 4.34Å; N399-Q401 PolarHBondContact O-N 2.88Å; Q401-V403 PolarHBondContact NE2-O 3.05Å; Q401-I406 PolarHBondContact NE2-O 3.37Å |
| 402 | F | 85 | Confident | 89.7 | Confident | 1 Ų | 1 | 27 Ų | 27 | 0% | 0.004 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | -52.7 | 176.1 | 177.8 | -111.5 | 0 | 0 | 0 | 111.5 | H377 L382 V400 I406 V408 L436 D489 | H377-F402 PolarHBondContact CE1-O 2.74Å; H377-F402 AromaticContact NE2-CD2 3.91Å; H377-F402 PolarHBondContact NE2-O 2.93Å; H377-F402 VanDerWaalsContact NE2-O 3.08Å; L382-F402 HydrophobicContact CB-CD2 3.9Å; L382-F402 HydrophobicContact CB-CE2 4.07Å; V400-F402 PolarHBondContact O-N 3.08Å; F402-I406 PolarHBondContact N-O 2.78Å; F402-V408 HydrophobicContact CB-CG2 4.38Å; F402-L436 HydrophobicContact CD1-CD1 4.4Å; F402-L436 HydrophobicContact CD1-CD2 3.96Å; F402-L436 HydrophobicContact CD1-CG 4.29Å; F402-L436 HydrophobicContact CE1-CD1 4.48Å; F402-L436 HydrophobicContact CE1-CD2 4.45Å; F402-L436 HydrophobicContact CE1-CG 4.34Å; F402-L436 HydrophobicContact CG-CD2 4.42Å; F402-D489 HydrophobicContact CE1-CB 3.91Å |
| 403 | V | 79.8 | Confident | 89.8 | Confident | 26 Ų | 26 | 28.9 Ų | 28.9 | 16% | 0.158 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 167.4 | 171.6 | -67.7 | 0 | 0 | 0 | 0 | 109.2 | R294 Q401 G405 I406 | R294-V403 VanDerWaalsContact CZ-CG1 3.48Å; R294-V403 VanDerWaalsContact NE-CG1 3.26Å; Q401-V403 PolarHBondContact NE2-O 3.05Å; V403-G405 PolarHBondContact O-N 2.91Å; V403-I406 HydrophobicContact CG2-CB 3.68Å; V403-I406 HydrophobicContact CG2-CD1 3.57Å; V403-I406 HydrophobicContact CG2-CG1 3.62Å; V403-I406 PolarHBondContact N-O 3.27Å; V403-I406 PolarHBondContact O-N 2.94Å |
| 404 | K | 75.4 | Confident | 89.7 | Confident | 122 Ų | 122 | 28.2 Ų | 28.2 | 53% | 0.53 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47.4 | 120.9 | 178.3 | -171.6 | 179 | -177.5 | 163 | 0 | 111 | P290 S292 I406 | P290-K404 HydrophobicContact CB-CG 4.02Å; P290-K404 HydrophobicContact CG-CG 4.02Å; S292-K404 WeakPolarHBondContact OG-CD 3.1Å; S292-K404 VanDerWaalsContact OG-CE 3.31Å; S292-K404 WeakPolarHBondContact OG-CE 3.49Å; S292-K404 PolarHBondContact OG-NZ 2.74Å; K404-I406 VanDerWaalsContact C-N 3.27Å; K404-I406 PolarHBondContact O-N 2.81Å |
| 405 | G | 77.5 | Confident | 89.5 | Confident | 8 Ų | 8 | 27 Ų | 27 | 8% | 0.082 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.1 | -1.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | P290 V403 T429 | P290-G405 VanDerWaalsContact CB-N 3.32Å; V403-G405 PolarHBondContact O-N 2.91Å; G405-T429 WeakPolarHBondContact CA-OG1 3.47Å; G405-T429 PolarHBondContact O-N 3.38Å; G405-T429 PolarHBondContact O-OG1 3.04Å |
| 406 | I | 85 | Confident | 89 | Confident | 10 Ų | 10 | 31.1 Ų | 31.1 | 5% | 0.051 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 122.5 | 175.2 | -48 | -171.9 | 0 | 0 | 0 | 109.6 | Q401 F402 V403 K404 V426 R428 L436 | Q401-I406 PolarHBondContact NE2-O 3.37Å; F402-I406 PolarHBondContact N-O 2.78Å; V403-I406 HydrophobicContact CG2-CB 3.68Å; V403-I406 HydrophobicContact CG2-CD1 3.57Å; V403-I406 HydrophobicContact CG2-CG1 3.62Å; V403-I406 PolarHBondContact N-O 3.27Å; V403-I406 PolarHBondContact O-N 2.94Å; K404-I406 VanDerWaalsContact C-N 3.27Å; K404-I406 PolarHBondContact O-N 2.81Å; I406-V426 HydrophobicContact CG2-CG1 3.65Å; I406-R428 HydrophobicContact CG1-CG 4.19Å; I406-L436 HydrophobicContact CD1-CD1 3.96Å; I406-L436 HydrophobicContact CG2-CD1 3.92Å; I406-L436 HydrophobicContact CG2-CD2 3.77Å |
| 407 | A | 87.8 | Confident | 88.5 | Confident | 3 Ų | 3 | 35.3 Ų | 35.3 | 3% | 0.025 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 152.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | N399 V400 N427 | N399-A407 HydrophobicContact CB-CB 4.45Å; N399-A407 WeakPolarHBondContact OD1-CB 3.41Å; V400-A407 CarbonylContact O-C 3.59Å; V400-A407 VanDerWaalsContact O-CA 3.25Å; V400-A407 WeakPolarHBondContact O-CA 3.3Å; A407-N427 PolarHBondContact N-O 2.95Å; A407-N427 PolarHBondContact O-N 3.2Å |
| 408 | V | 91.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 140.2 | -179 | -173.6 | 0 | 0 | 0 | 0 | 108.7 | N399 V400 F402 I410 V424 N425 L436 I487 | N399-V408 PolarHBondContact N-O 2.98Å; V400-V408 PolarHBondContact N-O 2.97Å; V400-V408 PolarHBondContact O-N 3.01Å; F402-V408 HydrophobicContact CB-CG2 4.38Å; V408-I410 HydrophobicContact CG1-CD1 4.31Å; V408-I410 HydrophobicContact CG1-CG1 3.83Å; V408-V424 HydrophobicContact CG1-CG1 3.4Å; V408-N425 WeakPolarHBondContact CA-O 3.24Å; V408-N425 WeakPolarHBondContact CG1-O 3.42Å; V408-L436 HydrophobicContact CG2-CD2 4.02Å; V408-I487 HydrophobicContact CB-CD1 4.47Å; V408-I487 HydrophobicContact CG1-CD1 3.78Å; V408-I487 HydrophobicContact CG2-CD1 4.2Å |
| 409 | N | 93.6 | Very high | 88.1 | Confident | 15 Ų | 15 | 38.1 Ų | 38.1 | 8% | 0.08 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 135.6 | 162.5 | -33.4 | -96 | 0 | 0 | 0 | 109.7 | L396 F397 R398 N399 V424 N425 N427 | L396-N409 HydrophobicContact CD1-CB 4.43Å; F397-N409 CarbonylContact O-C 3.57Å; F397-N409 WeakPolarHBondContact O-CA 3.27Å; F397-N409 WeakPolarHBondContact O-CB 3.36Å; R398-N409 WeakPolarHBondContact CA-OD1 3.28Å; N399-N409 PolarHBondContact N-OD1 2.93Å; N409-V424 WeakPolarHBondContact O-CA 3.36Å; N409-N425 WeakPolarHBondContact CA-OD1 3.27Å; N409-N425 WeakPolarHBondContact CB-OD1 3.4Å; N409-N425 PolarHBondContact N-O 3Å; N409-N425 PolarHBondContact N-OD1 3.21Å; N409-N425 PolarHBondContact ND2-OD1 3.37Å; N409-N425 PolarHBondContact O-N 3.14Å; N409-N425 PolarHBondContact O-OD1 2.78Å; N409-N427 PolarHBondContact ND2-ND2 3.31Å |
| 410 | I | 95 | Very high | 88.2 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 120.2 | -175.3 | -57.8 | 167.8 | 0 | 0 | 0 | 107 | F375 F384 F397 V408 V424 L485 | F375-I410 HydrophobicContact CE1-CD1 3.38Å; F375-I410 HydrophobicContact CZ-CD1 3.56Å; F384-I410 HydrophobicContact CD1-CG2 4.29Å; F384-I410 HydrophobicContact CE1-CG2 4.04Å; F397-I410 HydrophobicContact CB-CB 4.31Å; F397-I410 HydrophobicContact CD2-CB 4.27Å; F397-I410 HydrophobicContact CD2-CG2 4.42Å; F397-I410 PolarHBondContact N-O 3.06Å; F397-I410 PolarHBondContact O-N 3.18Å; V408-I410 HydrophobicContact CG1-CD1 4.31Å; V408-I410 HydrophobicContact CG1-CG1 3.83Å; I410-V424 HydrophobicContact CG1-CG1 4.45Å; I410-V424 HydrophobicContact CG1-CG2 4.45Å; I410-L485 HydrophobicContact CD1-CD2 4.05Å; I410-L485 HydrophobicContact CG1-CD2 4.44Å |
| 411 | W | 94.3 | Very high | 88.2 | Confident | 82 Ų | 82 | 37.9 Ų | 37.9 | 31% | 0.311 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 126 | 178.7 | -59.8 | 56.7 | 0 | 0 | 0 | 108 | C395 L396 L422 Y423 R470 | C395-W411 WeakPolarHBondContact O-CA 3.48Å; L396-W411 HydrophobicContact CD1-CD2 3.58Å; L396-W411 HydrophobicContact CD1-CE3 4.44Å; L396-W411 HydrophobicContact CD1-CG 3.62Å; L396-W411 HydrophobicContact CD1-CZ2 3.92Å; L396-W411 HydrophobicContact CD2-CD2 4.25Å; L396-W411 HydrophobicContact CD2-CE3 4.44Å; L396-W411 HydrophobicContact CD2-CH2 3.8Å; L396-W411 HydrophobicContact CD2-CZ2 3.57Å; L396-W411 HydrophobicContact CD2-CZ3 4.25Å; L396-W411 HydrophobicContact CG-CD2 4.32Å; L396-W411 HydrophobicContact CG-CZ2 4.37Å; W411-L422 CarbonylContact O-C 3.58Å; W411-L422 WeakPolarHBondContact O-CA 3.23Å; W411-Y423 PolarHBondContact N-O 2.72Å; W411-Y423 PolarHBondContact O-N 2.78Å; W411-R470 VanDerWaalsContact CE2-CZ 3.49Å; W411-R470 VanDerWaalsContact CE2-NH2 3.33Å |
| 412 | V | 94.8 | Very high | 88.6 | Confident | 3 Ų | 3 | 36.5 Ų | 36.5 | 2% | 0.018 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 124.9 | 167.3 | -175.5 | 0 | 0 | 0 | 0 | 106.3 | F384 L391 D394 C395 F397 A420 L422 | F384-V412 HydrophobicContact CE1-CG2 4.27Å; F384-V412 HydrophobicContact CZ-CG2 4.32Å; L391-V412 HydrophobicContact CB-CG1 3.95Å; L391-V412 HydrophobicContact CD1-CG1 4.17Å; L391-V412 HydrophobicContact CD1-CG2 4.4Å; L391-V412 HydrophobicContact CD2-CG1 4.23Å; L391-V412 HydrophobicContact CD2-CG2 4.19Å; L391-V412 HydrophobicContact CG-CG1 4.34Å; D394-V412 CarbonylContact C-O 3.21Å; D394-V412 VanDerWaalsContact CA-O 3.24Å; D394-V412 WeakPolarHBondContact CA-O 3.32Å; C395-V412 PolarHBondContact N-O 2.95Å; C395-V412 PolarHBondContact O-N 2.82Å; C395-V412 VanDerWaalsContact SG-CB 3.56Å; C395-V412 WeakPolarHBondContact SG-CG2 3.29Å; F397-V412 HydrophobicContact CE2-CG2 4.33Å; V412-A420 HydrophobicContact CG1-CB 4.42Å; V412-L422 HydrophobicContact CB-CD2 4.43Å; V412-L422 HydrophobicContact CG2-CD2 3.71Å |
| 413 | Q | 92.7 | Very high | 89 | Confident | 83 Ų | 83 | 39 Ų | 39 | 39% | 0.388 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 129.1 | 176.4 | -175.5 | 178.3 | -29 | 0 | 0 | 109.5 | D394 A420 V421 Y423 | D394-Q413 WeakPolarHBondContact OD1-CA 3.4Å; Q413-A420 CarbonylContact O-C 3.52Å; Q413-A420 WeakPolarHBondContact O-CA 3.49Å; Q413-V421 HydrophobicContact CB-CG2 4.33Å; Q413-V421 PolarHBondContact N-O 3.06Å; Q413-V421 WeakPolarHBondContact O-CG2 3.14Å; Q413-V421 PolarHBondContact O-N 2.88Å; Q413-Y423 HydrophobicContact CB-CD2 4.34Å; Q413-Y423 HydrophobicContact CB-CE2 3.99Å |
| 414 | V | 91.5 | Very high | 89.6 | Confident | 13 Ų | 13 | 37.8 Ų | 37.8 | 8% | 0.079 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 117.3 | 171.2 | -173.7 | 0 | 0 | 0 | 0 | 108 | D394 K419 A420 I517 | D394-V414 PolarHBondContact OD1-N 3.33Å; V414-K419 WeakPolarHBondContact CA-O 3.21Å; V414-A420 HydrophobicContact CG2-CB 4.39Å; V414-I517 HydrophobicContact CG1-CD1 4.06Å |
| 415 | N | 88.1 | Confident | 90.3 | Very high | 44 Ų | 44 | 32.7 Ų | 32.7 | 24% | 0.235 | 18% | 0.176 | C | C | . | . | trans | -76.4 | -177 | -177.6 | 75.5 | 0.9 | 0 | 0 | 0 | 112.1 | D417 D418 K419 | N415-D417 PolarHBondContact O-N 3.31Å; N415-D417 WeakPolarHBondContact OD1-CA 3.47Å; N415-D417 WeakPolarHBondContact OD1-CB 3.35Å; N415-D417 PolarHBondContact OD1-N 2.81Å; N415-D418 PolarHBondContact O-N 2.79Å; N415-D418 PolarHBondContact OD1-N 3.06Å; N415-K419 VanDerWaalsContact CG-O 3.27Å; N415-K419 PolarHBondContact N-O 2.85Å; N415-K419 WeakPolarHBondContact OD1-CA 3.41Å; N415-K419 WeakPolarHBondContact OD1-CB 3.38Å; N415-K419 PolarHBondContact OD1-N 3.16Å; N415-K419 PolarHBondContact OD1-O 2.84Å; N415-K419 VanDerWaalsContact OD1-O 3.09Å | ||
| 416 | A | 85.3 | Confident | 90.9 | Very high | 99 Ų | 99 | 32.3 Ų | 32.3 | 82% | 0.818 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -21.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | D418 | A416-D418 PolarHBondContact O-N 2.75Š|
| 417 | D | 86.2 | Confident | 90.9 | Very high | 115 Ų | 115 | 33.8 Ų | 33.8 | 62% | 0.615 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | 15.1 | 176.9 | -52.7 | -44 | 0 | 0 | 0 | 112.2 | N415 K419 A511 | N415-D417 PolarHBondContact O-N 3.31Å; N415-D417 WeakPolarHBondContact OD1-CA 3.47Å; N415-D417 WeakPolarHBondContact OD1-CB 3.35Å; N415-D417 PolarHBondContact OD1-N 2.81Å; D417-K419 HydrophobicContact CB-CG 4.48Å; D417-K419 PolarHBondContact O-N 2.84Å; D417-K419 VanDerWaalsContact O-N 3.1Å; D417-A511 WeakPolarHBondContact O-CB 3.24Å |
| 418 | D | 88.6 | Confident | 90.6 | Very high | 21 Ų | 21 | 35.7 Ų | 35.7 | 11% | 0.112 | 19% | 0.187 | C | C | . | . | S | Bend | trans | 57.9 | 20.9 | -176.3 | -62.9 | -35.3 | 0 | 0 | 0 | 113.7 | N415 A416 H512 H514 I517 | N415-D418 PolarHBondContact O-N 2.79Å; N415-D418 PolarHBondContact OD1-N 3.06Å; A416-D418 PolarHBondContact O-N 2.75Å; D418-H512 WeakPolarHBondContact O-CB 3.31Å; D418-H512 PolarHBondContact O-CD2 3.32Å; D418-H512 VanDerWaalsContact O-CD2 3.31Å; D418-H512 PolarHBondContact O-N 2.96Å; D418-H514 IonicContact OD2-CG 2.69Å; D418-H514 IonicContact OD2-ND1 3.44Å; D418-H514 PolarHBondContact OD2-ND1 2.87Å; D418-I517 HydrophobicContact CB-CG1 4.07Å; D418-I517 WeakPolarHBondContact OD1-CG2 3.5Å |
| 419 | K | 90.3 | Very high | 89.7 | Confident | 97 Ų | 97 | 40.6 Ų | 40.6 | 42% | 0.422 | 22% | 0.217 | S | C | . | . | trans | -95.1 | 133.5 | 173.1 | -65.3 | -175 | 177.3 | -173.1 | 0 | 111.2 | V414 N415 D417 A511 | V414-K419 WeakPolarHBondContact CA-O 3.21Å; N415-K419 VanDerWaalsContact CG-O 3.27Å; N415-K419 PolarHBondContact N-O 2.85Å; N415-K419 WeakPolarHBondContact OD1-CA 3.41Å; N415-K419 WeakPolarHBondContact OD1-CB 3.38Å; N415-K419 PolarHBondContact OD1-N 3.16Å; N415-K419 PolarHBondContact OD1-O 2.84Å; N415-K419 VanDerWaalsContact OD1-O 3.09Å; D417-K419 HydrophobicContact CB-CG 4.48Å; D417-K419 PolarHBondContact O-N 2.84Å; D417-K419 VanDerWaalsContact O-N 3.1Å; K419-A511 HydrophobicContact CG-CB 3.73Å | ||
| 420 | A | 92.5 | Very high | 88.7 | Confident | 10 Ų | 10 | 46.3 Ų | 46.3 | 8% | 0.083 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 140.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L391 V412 Q413 V414 L475 | L391-A420 HydrophobicContact CB-CB 4.2Å; L391-A420 WeakPolarHBondContact O-CB 3.28Å; V412-A420 HydrophobicContact CG1-CB 4.42Å; Q413-A420 CarbonylContact O-C 3.52Å; Q413-A420 WeakPolarHBondContact O-CA 3.49Å; V414-A420 HydrophobicContact CG2-CB 4.39Å; A420-L475 HydrophobicContact CB-CD1 3.43Å; A420-L475 VanDerWaalsContact CB-CD1 3.43Å; A420-L475 WeakPolarHBondContact O-CD1 3.37Å |
| 421 | V | 92.1 | Very high | 87.3 | Confident | 15 Ų | 15 | 51.7 Ų | 51.7 | 9% | 0.091 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 149.5 | 176.2 | -64.3 | 0 | 0 | 0 | 0 | 110.1 | Q413 Y423 M472 | Q413-V421 HydrophobicContact CB-CG2 4.33Å; Q413-V421 PolarHBondContact N-O 3.06Å; Q413-V421 WeakPolarHBondContact O-CG2 3.14Å; Q413-V421 PolarHBondContact O-N 2.88Å; V421-Y423 HydrophobicContact CG2-CD2 4.42Å; V421-Y423 HydrophobicContact CG2-CE2 3.59Å; V421-M472 HydrophobicContact CB-CE 4.13Å; V421-M472 HydrophobicContact CG1-CE 3.75Å |
| 422 | L | 93.7 | Very high | 86.1 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 138.7 | 177.8 | -59.7 | -179.6 | 0 | 0 | 0 | 110.8 | F384 W411 V412 M472 I473 L475 I484 L485 | F384-L422 HydrophobicContact CD1-CD1 4.21Å; F384-L422 HydrophobicContact CD1-CD2 4.46Å; F384-L422 HydrophobicContact CE1-CD1 4.44Å; F384-L422 HydrophobicContact CE1-CD2 3.88Å; W411-L422 CarbonylContact O-C 3.58Å; W411-L422 WeakPolarHBondContact O-CA 3.23Å; V412-L422 HydrophobicContact CB-CD2 4.43Å; V412-L422 HydrophobicContact CG2-CD2 3.71Å; L422-M472 CarbonylContact O-C 3.52Å; L422-M472 WeakPolarHBondContact O-CA 3.36Å; L422-I473 HydrophobicContact CB-CB 4.21Å; L422-I473 PolarHBondContact N-O 3.34Å; L422-I473 VanDerWaalsContact N-O 3.09Å; L422-I473 PolarHBondContact O-N 3.05Å; L422-L475 HydrophobicContact CD1-CD2 3.58Å; L422-L475 HydrophobicContact CD2-CD2 4.01Å; L422-L475 HydrophobicContact CG-CD2 3.53Å; L422-L475 HydrophobicContact CG-CG 4.09Å; L422-I484 HydrophobicContact CD1-CD1 4.2Å; L422-L485 HydrophobicContact CD1-CB 4.09Å; L422-L485 HydrophobicContact CD1-CD2 4.41Å |
| 423 | Y | 93 | Very high | 84.9 | Confident | 53 Ų | 53 | 58.5 Ų | 58.5 | 21% | 0.208 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 126 | 165.5 | -60 | -86.4 | 0 | 0 | 0 | 109.7 | W411 Q413 V421 R470 S471 M472 | W411-Y423 PolarHBondContact N-O 2.72Å; W411-Y423 PolarHBondContact O-N 2.78Å; Q413-Y423 HydrophobicContact CB-CD2 4.34Å; Q413-Y423 HydrophobicContact CB-CE2 3.99Å; V421-Y423 HydrophobicContact CG2-CD2 4.42Å; V421-Y423 HydrophobicContact CG2-CE2 3.59Å; Y423-R470 HydrophobicContact CD1-CB 4.08Å; Y423-R470 HydrophobicContact CG-CB 4.45Å; Y423-S471 WeakPolarHBondContact CA-O 3.04Å; Y423-M472 HydrophobicContact CD1-CB 4.04Å; Y423-M472 HydrophobicContact CD1-CG 4.39Å; Y423-M472 HydrophobicContact CE1-CB 3.86Å; Y423-M472 HydrophobicContact CE1-CG 3.93Å; Y423-M472 HydrophobicContact CE1-SD 4.49Å |
| 424 | V | 93.4 | Very high | 84.2 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 134.2 | -177.3 | -172.8 | 0 | 0 | 0 | 0 | 109.4 | V408 N409 I410 L450 S471 I473 L485 I487 | V408-V424 HydrophobicContact CG1-CG1 3.4Å; N409-V424 WeakPolarHBondContact O-CA 3.36Å; I410-V424 HydrophobicContact CG1-CG1 4.45Å; I410-V424 HydrophobicContact CG1-CG2 4.45Å; V424-L450 HydrophobicContact CB-CD2 4.05Å; V424-L450 HydrophobicContact CG1-CD1 3.78Å; V424-L450 HydrophobicContact CG1-CD2 3.93Å; V424-S471 PolarHBondContact N-O 2.9Å; V424-S471 PolarHBondContact O-N 3.04Å; V424-I473 HydrophobicContact CB-CD1 4.41Å; V424-I473 HydrophobicContact CG2-CD1 3.81Å; V424-L485 HydrophobicContact CG2-CD1 4.44Å; V424-L485 HydrophobicContact CG2-CD2 3.76Å; V424-I487 HydrophobicContact CG1-CD1 4.08Å |
| 425 | N | 90.4 | Very high | 83.8 | Confident | 15 Ų | 15 | 61.1 Ų | 61.1 | 8% | 0.08 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 154 | 170.1 | 72.2 | -14.4 | 0 | 0 | 0 | 111.3 | V408 N409 R470 | V408-N425 WeakPolarHBondContact CA-O 3.24Å; V408-N425 WeakPolarHBondContact CG1-O 3.42Å; N409-N425 WeakPolarHBondContact CA-OD1 3.27Å; N409-N425 WeakPolarHBondContact CB-OD1 3.4Å; N409-N425 PolarHBondContact N-O 3Å; N409-N425 PolarHBondContact N-OD1 3.21Å; N409-N425 PolarHBondContact ND2-OD1 3.37Å; N409-N425 PolarHBondContact O-N 3.14Å; N409-N425 PolarHBondContact O-OD1 2.78Å; N425-R470 HydrophobicContact CB-CG 4.45Å |
| 426 | V | 89 | Confident | 83.9 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 126.7 | -179.1 | -176.5 | 0 | 0 | 0 | 0 | 110 | I406 L436 L450 R451 Y452 V453 | I406-V426 HydrophobicContact CG2-CG1 3.65Å; V426-L436 HydrophobicContact CG1-CD2 4.13Å; V426-L436 HydrophobicContact CG2-CB 4.32Å; V426-L436 HydrophobicContact CG2-CD2 4Å; V426-L450 HydrophobicContact CG2-CB 3.62Å; V426-L450 HydrophobicContact CG2-CD1 3.78Å; V426-L450 HydrophobicContact CG2-CG 4.37Å; V426-R451 PolarHBondContact N-O 2.71Å; V426-Y452 HydrophobicContact CB-CD1 3.74Å; V426-Y452 HydrophobicContact CB-CE1 4.03Å; V426-Y452 HydrophobicContact CG1-CD1 3.63Å; V426-Y452 HydrophobicContact CG1-CE1 3.81Å; V426-Y452 HydrophobicContact CG2-CE1 4.44Å; V426-Y452 WeakPolarHBondContact O-CA 3.39Å; V426-V453 PolarHBondContact O-N 3.35Å |
| 427 | N | 85 | Confident | 84.2 | Confident | 41 Ų | 41 | 54.8 Ų | 54.8 | 22% | 0.219 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 123.3 | 168 | -74.1 | -9.1 | 0 | 0 | 0 | 108.6 | A407 N409 | A407-N427 PolarHBondContact N-O 2.95Å; A407-N427 PolarHBondContact O-N 3.2Å; N409-N427 PolarHBondContact ND2-ND2 3.31Å |
| 428 | R | 81 | Confident | 84.5 | Confident | 43 Ų | 43 | 49.3 Ų | 49.3 | 16% | 0.162 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 132.5 | -178.7 | -160.3 | -178.8 | 178.7 | 120.5 | 16.9 | 110.3 | I406 E430 K432 G433 N434 Y452 | I406-R428 HydrophobicContact CG1-CG 4.19Å; R428-E430 WeakPolarHBondContact CD-O 3.36Å; R428-E430 WeakPolarHBondContact CG-O 3.41Å; R428-E430 PolarHBondContact NE-O 3.03Å; R428-K432 VanDerWaalsContact NH2-C 3.34Å; R428-K432 PolarHBondContact NH2-O 3.35Å; R428-G433 PolarHBondContact NH1-O 3.3Å; R428-N434 PolarHBondContact NH1-O 3.04Å; R428-Y452 HydrophobicContact CB-CD1 4.45Å |
| 429 | T | 74.3 | Confident | 84.6 | Confident | 104 Ų | 104 | 48.5 Ų | 48.5 | 64% | 0.638 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -83.6 | -32.6 | 177.4 | 51.9 | 0 | 0 | 0 | 0 | 112.6 | G405 | G405-T429 WeakPolarHBondContact CA-OG1 3.47Å; G405-T429 PolarHBondContact O-N 3.38Å; G405-T429 PolarHBondContact O-OG1 3.04Å |
| 430 | E | 71.1 | Confident | 84.8 | Confident | 135 Ų | 135 | 44.4 Ų | 44.4 | 63% | 0.631 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -106.9 | 144.5 | 177.8 | -64.6 | -177.8 | -176.1 | 0 | 0 | 111.5 | R428 K432 | R428-E430 WeakPolarHBondContact CD-O 3.36Å; R428-E430 WeakPolarHBondContact CG-O 3.41Å; R428-E430 PolarHBondContact NE-O 3.03Å; E430-K432 VanDerWaalsContact C-N 3.34Å; E430-K432 PolarHBondContact O-N 3.08Å |
| 431 | T | 67 | Low | 84.7 | Confident | 113 Ų | 113 | 44 Ų | 44 | 69% | 0.693 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -79.3 | -15.4 | 179.3 | 52.5 | 0 | 0 | 0 | 0 | 114 | ||
| 432 | K | 67.2 | Low | 84.5 | Confident | 173 Ų | 173 | 43.3 Ų | 43.3 | 75% | 0.752 | 24% | 0.239 | S | C | * | . | trans | -102.9 | 134.7 | -176 | -68.8 | -175.6 | 178.7 | -179.6 | 0 | 111.9 | R428 E430 | R428-K432 VanDerWaalsContact NH2-C 3.34Å; R428-K432 PolarHBondContact NH2-O 3.35Å; E430-K432 VanDerWaalsContact C-N 3.34Å; E430-K432 PolarHBondContact O-N 3.08Å | ||
| 433 | G | 71 | Confident | 84.2 | Confident | 55 Ų | 55 | 43.4 Ų | 43.4 | 57% | 0.567 | 24% | 0.24 | S | C | * | . | S | Bend | trans | 140.2 | -177.6 | 161 | 0 | 0 | 0 | 0 | 0 | 113.1 | R428 | R428-G433 PolarHBondContact NH1-O 3.3Š|
| 434 | N | 77.3 | Confident | 83.8 | Confident | 113 Ų | 113 | 46 Ų | 46 | 60% | 0.604 | 26% | 0.257 | S | S | * | . | P | Polyproline II helix | trans | -60 | 150.4 | -170.3 | -66.4 | -0.9 | 0 | 0 | 0 | 112.5 | R428 D489 | R428-N434 PolarHBondContact NH1-O 3.04Å; N434-D489 PolarHBondContact ND2-O 2.91Å |
| 435 | A | 82.9 | Confident | 83.5 | Confident | 37 Ų | 37 | 50 Ų | 50 | 31% | 0.306 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -71.4 | 137.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y452 | A435-Y452 WeakPolarHBondContact CA-OH 3.11Å; A435-Y452 WeakPolarHBondContact CB-OH 3.4Å |
| 436 | L | 89.8 | Confident | 83.3 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -78.9 | 130.5 | 168.5 | -93.8 | 65.7 | 0 | 0 | 0 | 109.1 | F402 I406 V408 V426 L450 Y452 I487 D489 | F402-L436 HydrophobicContact CD1-CD1 4.4Å; F402-L436 HydrophobicContact CD1-CD2 3.96Å; F402-L436 HydrophobicContact CD1-CG 4.29Å; F402-L436 HydrophobicContact CE1-CD1 4.48Å; F402-L436 HydrophobicContact CE1-CD2 4.45Å; F402-L436 HydrophobicContact CE1-CG 4.34Å; F402-L436 HydrophobicContact CG-CD2 4.42Å; I406-L436 HydrophobicContact CD1-CD1 3.96Å; I406-L436 HydrophobicContact CG2-CD1 3.92Å; I406-L436 HydrophobicContact CG2-CD2 3.77Å; V408-L436 HydrophobicContact CG2-CD2 4.02Å; V426-L436 HydrophobicContact CG1-CD2 4.13Å; V426-L436 HydrophobicContact CG2-CB 4.32Å; V426-L436 HydrophobicContact CG2-CD2 4Å; L436-L450 HydrophobicContact CB-CB 4.33Å; L436-L450 HydrophobicContact CB-CD1 4.15Å; L436-L450 WeakPolarHBondContact O-CB 3.38Å; L436-L450 PolarHBondContact O-N 2.9Å; L436-Y452 PolarHBondContact N-OH 2.83Å; L436-I487 HydrophobicContact CB-CG2 4.45Å; L436-I487 HydrophobicContact CD2-CG2 3.92Å; L436-I487 HydrophobicContact CG-CG2 4.25Å; L436-D489 HydrophobicContact CD1-CB 4.28Å |
| 437 | L | 91.7 | Very high | 83.3 | Confident | 11 Ų | 11 | 57.5 Ų | 57.5 | 6% | 0.058 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 147.9 | 178.9 | -59.3 | 175.7 | 0 | 0 | 0 | 109.6 | P447 I448 E449 I487 T488 R491 | L437-P447 HydrophobicContact CB-CB 4.16Å; L437-P447 HydrophobicContact CD1-CB 4.5Å; L437-P447 HydrophobicContact CD2-CB 4.44Å; L437-I448 CarbonylContact C-O 3.58Å; L437-I448 WeakPolarHBondContact CA-O 3.34Å; L437-E449 HydrophobicContact CD2-CB 4.39Å; L437-E449 HydrophobicContact CD2-CG 3.49Å; L437-E449 VanDerWaalsContact CD2-CG 3.49Å; L437-I487 VanDerWaalsContact O-CA 3.31Å; L437-I487 WeakPolarHBondContact O-CA 2.97Å; L437-T488 HydrophobicContact CB-CG2 4.41Å; L437-T488 PolarHBondContact N-O 2.88Å; L437-T488 PolarHBondContact O-N 3.37Å; L437-R491 HydrophobicContact CD1-CB 3.72Å; L437-R491 HydrophobicContact CD1-CG 3.89Å |
| 438 | A | 93.2 | Very high | 83.5 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 148.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | P447 I448 L450 I473 L485 Y486 I487 | A438-P447 WeakPolarHBondContact O-CA 3.4Å; A438-I448 PolarHBondContact N-O 3.47Å; A438-I448 PolarHBondContact O-N 2.89Å; A438-L450 HydrophobicContact CB-CD1 4.19Å; A438-L450 HydrophobicContact CB-CD2 3.75Å; A438-L450 HydrophobicContact CB-CG 3.99Å; A438-I473 HydrophobicContact CB-CD1 3.95Å; A438-L485 HydrophobicContact CB-CD1 3.98Å; A438-Y486 WeakPolarHBondContact CA-O 3.35Å; A438-Y486 WeakPolarHBondContact CB-O 3.3Å; A438-I487 HydrophobicContact CB-CG1 4.29Å |
| 439 | C | 91.8 | Very high | 83.8 | Confident | 4 Ų | 4 | 62.5 Ų | 62.5 | 3% | 0.027 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 157.2 | 161.1 | 31.8 | 0 | 0 | 0 | 0 | 111.1 | C443 L485 Y486 F494 | C439-C443 HydrophobicContact CB-CB 3.56Å; C439-C443 WeakPolarHBondContact CB-SG 3.04Å; C439-C443 WeakPolarHBondContact SG-CB 3.41Å; C439-C443 CovalentContact SG-SG 2.03Å; C439-C443 PolarHBondContact SG-SG 2.83Å; C439-L485 WeakPolarHBondContact O-CA 3.44Å; C439-L485 WeakPolarHBondContact O-CD1 3.47Å; C439-Y486 PolarHBondContact N-O 3.21Å; C439-Y486 VanDerWaalsContact N-O 3.09Å; C439-Y486 PolarHBondContact O-N 2.93Å; C439-Y486 VanDerWaalsContact SG-CB 3.59Å; C439-F494 HydrophobicContact CB-CE1 4.14Å; C439-F494 HydrophobicContact CB-CE2 3.83Å; C439-F494 HydrophobicContact CB-CZ 3.24Å; C439-F494 WeakPolarHBondContact SG-CE2 3.47Å; C439-F494 WeakPolarHBondContact SG-CZ 3.33Å |
| 440 | D | 92.8 | Very high | 84.3 | Confident | 10 Ų | 10 | 57.7 Ų | 57.7 | 5% | 0.053 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | -176.8 | 160.3 | 56.3 | 12.7 | 0 | 0 | 0 | 112.6 | G442 C443 I473 K476 | D440-G442 PolarHBondContact O-N 3.49Å; D440-C443 PolarHBondContact O-N 3.45Å; D440-C443 VanDerWaalsContact O-N 3.1Å; D440-I473 HydrophobicContact CB-CG2 3.88Å; D440-K476 HydrophobicContact CB-CD 4.33Å; D440-K476 IonicContact OD1-NZ 2.66Å; D440-K476 WeakPolarHBondContact OD2-CD 3.32Å; D440-K476 WeakPolarHBondContact OD2-CE 3.36Å; D440-K476 IonicContact OD2-NZ 2.62Å; D440-K476 PolarHBondContact OD2-NZ 2.8Å |
| 441 | A | 91 | Very high | 84.7 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.008 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -55.9 | 134.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | C443 K476 T478 P483 I484 | A441-C443 PolarHBondContact O-N 2.88Å; A441-K476 HydrophobicContact CB-CB 3.9Å; A441-T478 HydrophobicContact CB-CG2 3.74Å; A441-P483 WeakPolarHBondContact CA-O 3.34Å; A441-I484 PolarHBondContact N-O 3.22Å |
| 442 | G | 87.4 | Confident | 84.9 | Confident | 2 Ų | 2 | 56.4 Ų | 56.4 | 2% | 0.021 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | 78.4 | -16.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | D440 L444 T482 | D440-G442 PolarHBondContact O-N 3.49Å; G442-L444 PolarHBondContact O-N 3.33Å; G442-L444 VanDerWaalsContact O-N 3.16Å; G442-T482 PolarHBondContact N-OG1 3.24Å |
| 443 | C | 87.8 | Confident | 84.6 | Confident | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.007 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | 50.6 | 36 | 179.6 | -55.5 | 0 | 0 | 0 | 0 | 114.8 | C439 D440 A441 Y486 F494 K498 I501 | C439-C443 HydrophobicContact CB-CB 3.56Å; C439-C443 WeakPolarHBondContact CB-SG 3.04Å; C439-C443 WeakPolarHBondContact SG-CB 3.41Å; C439-C443 CovalentContact SG-SG 2.03Å; C439-C443 PolarHBondContact SG-SG 2.83Å; D440-C443 PolarHBondContact O-N 3.45Å; D440-C443 VanDerWaalsContact O-N 3.1Å; A441-C443 PolarHBondContact O-N 2.88Å; C443-Y486 WeakPolarHBondContact SG-CD2 3.45Å; C443-F494 HydrophobicContact CB-CE1 4.25Å; C443-F494 HydrophobicContact CB-CZ 4.41Å; C443-K498 HydrophobicContact CB-CG 4.39Å; C443-K498 WeakPolarHBondContact O-CE 3.31Å; C443-K498 WeakPolarHBondContact O-CG 3.42Å; C443-I501 HydrophobicContact CB-CD1 4.32Å |
| 444 | L | 85.8 | Confident | 83.8 | Confident | 107 Ų | 107 | 51.6 Ų | 51.6 | 56% | 0.56 | 27% | 0.267 | S | S | * | . | trans | -73.9 | -33.4 | 179.8 | -61.6 | -179.2 | 0 | 0 | 0 | 112.2 | G442 V503 V506 | G442-L444 PolarHBondContact O-N 3.33Å; G442-L444 VanDerWaalsContact O-N 3.16Å; L444-V503 HydrophobicContact CD2-CG2 4.48Å; L444-V506 HydrophobicContact CD1-CB 4.15Å; L444-V506 HydrophobicContact CD1-CG2 3.61Å | ||
| 445 | D | 86.3 | Confident | 82.4 | Confident | 86 Ų | 86 | 57.1 Ų | 57.1 | 46% | 0.46 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -78.9 | 171.3 | -178.9 | -66.8 | -31.5 | 0 | 0 | 0 | 112.1 | K476 K498 | D445-K476 IonicContact OD2-NZ 2.96Å; D445-K476 PolarHBondContact OD2-NZ 3.5Å; D445-K498 PolarHBondContact O-NZ 3.35Å |
| 446 | N | 87 | Confident | 80.4 | Confident | 139 Ų | 139 | 61.1 Ų | 61.1 | 74% | 0.743 | 30% | 0.295 | S | S | * | . | P | Polyproline II helix | trans | -68.3 | 141.6 | 172.9 | -74.2 | -34.3 | 0 | 0 | 0 | 110.4 | I448 | N446-I448 PolarHBondContact O-N 2.9Š|
| 447 | P | 87.5 | Confident | 78.2 | Confident | 33 Ų | 33 | 68.6 Ų | 68.6 | 21% | 0.214 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -59.7 | 140 | 178.5 | 22.6 | -31.8 | 0 | 0 | 0 | 111.4 | L437 A438 F494 | L437-P447 HydrophobicContact CB-CB 4.16Å; L437-P447 HydrophobicContact CD1-CB 4.5Å; L437-P447 HydrophobicContact CD2-CB 4.44Å; A438-P447 WeakPolarHBondContact O-CA 3.4Å; P447-F494 HydrophobicContact CB-CD1 4.37Å; P447-F494 HydrophobicContact CB-CD2 4.47Å; P447-F494 HydrophobicContact CB-CE1 3.87Å; P447-F494 HydrophobicContact CB-CE2 3.95Å; P447-F494 HydrophobicContact CB-CZ 3.56Å; P447-F494 HydrophobicContact CG-CD1 4.45Å; P447-F494 HydrophobicContact CG-CE1 4.22Å; P447-F494 HydrophobicContact CG-CZ 4.4Å |
| 448 | I | 89.3 | Confident | 76 | Confident | 63 Ų | 63 | 71.6 Ų | 71.6 | 32% | 0.323 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 124 | 174.4 | -60.8 | 166.9 | 0 | 0 | 0 | 108 | L437 A438 N446 L450 I473 | L437-I448 CarbonylContact C-O 3.58Å; L437-I448 WeakPolarHBondContact CA-O 3.34Å; A438-I448 PolarHBondContact N-O 3.47Å; A438-I448 PolarHBondContact O-N 2.89Å; N446-I448 PolarHBondContact O-N 2.9Å; I448-L450 PolarHBondContact O-N 3.42Å; I448-I473 HydrophobicContact CD1-CG1 4.27Å |
| 449 | E | 87.4 | Confident | 74 | Confident | 126 Ų | 126 | 78.4 Ų | 78.4 | 59% | 0.589 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 121.2 | 168.1 | -73.9 | -178.2 | -170.2 | 0 | 0 | 109.8 | L437 | L437-E449 HydrophobicContact CD2-CB 4.39Å; L437-E449 HydrophobicContact CD2-CG 3.49Å; L437-E449 VanDerWaalsContact CD2-CG 3.49Å |
| 450 | L | 86.1 | Confident | 72.1 | Confident | 3 Ų | 3 | 85.4 Ų | 85.4 | 2% | 0.016 | 43% | 0.425 | C | S | . | . | P | Polyproline II helix | trans | -75 | 137.6 | 178 | -63.8 | -177.2 | 0 | 0 | 0 | 110.6 | V424 V426 L436 A438 I448 Y452 I487 | V424-L450 HydrophobicContact CB-CD2 4.05Å; V424-L450 HydrophobicContact CG1-CD1 3.78Å; V424-L450 HydrophobicContact CG1-CD2 3.93Å; V426-L450 HydrophobicContact CG2-CB 3.62Å; V426-L450 HydrophobicContact CG2-CD1 3.78Å; V426-L450 HydrophobicContact CG2-CG 4.37Å; L436-L450 HydrophobicContact CB-CB 4.33Å; L436-L450 HydrophobicContact CB-CD1 4.15Å; L436-L450 WeakPolarHBondContact O-CB 3.38Å; L436-L450 PolarHBondContact O-N 2.9Å; A438-L450 HydrophobicContact CB-CD1 4.19Å; A438-L450 HydrophobicContact CB-CD2 3.75Å; A438-L450 HydrophobicContact CB-CG 3.99Å; I448-L450 PolarHBondContact O-N 3.42Å; L450-Y452 WeakPolarHBondContact O-CE2 3.35Å; L450-Y452 PolarHBondContact O-OH 3.33Å; L450-I487 HydrophobicContact CD1-CD1 4.16Å; L450-I487 HydrophobicContact CD1-CG1 4.34Å; L450-I487 HydrophobicContact CD1-CG2 4.04Å |
| 451 | R | 78.1 | Confident | 69.9 | Low | 140 Ų | 140 | 90.9 Ų | 90.9 | 53% | 0.528 | 45% | 0.449 | S | S | . | . | P | Polyproline II helix | trans | -84.3 | 141.9 | -179.9 | -62.4 | -177.3 | 175.5 | -110.7 | -9.4 | 111.3 | V426 D469 | V426-R451 PolarHBondContact N-O 2.71Å; R451-D469 VanDerWaalsContact CD-CG 3.43Å; R451-D469 WeakPolarHBondContact CD-OD2 3.05Å; R451-D469 IonicContact CZ-OD2 3.35Å; R451-D469 IonicContact NE-OD2 3.66Å; R451-D469 PolarHBondContact NE-OD2 3.01Å; R451-D469 IonicContact NH1-OD2 2.72Å; R451-D469 PolarHBondContact NH1-OD2 3.46Å |
| 452 | Y | 72.1 | Confident | 67.9 | Low | 81 Ų | 81 | 98 Ų | 98 | 32% | 0.318 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 140.4 | -178.1 | -47.8 | -80.2 | 0 | 0 | 0 | 111.6 | V426 R428 A435 L436 L450 | V426-Y452 HydrophobicContact CB-CD1 3.74Å; V426-Y452 HydrophobicContact CB-CE1 4.03Å; V426-Y452 HydrophobicContact CG1-CD1 3.63Å; V426-Y452 HydrophobicContact CG1-CE1 3.81Å; V426-Y452 HydrophobicContact CG2-CE1 4.44Å; V426-Y452 WeakPolarHBondContact O-CA 3.39Å; R428-Y452 HydrophobicContact CB-CD1 4.45Å; A435-Y452 WeakPolarHBondContact CA-OH 3.11Å; A435-Y452 WeakPolarHBondContact CB-OH 3.4Å; L436-Y452 PolarHBondContact N-OH 2.83Å; L450-Y452 WeakPolarHBondContact O-CE2 3.35Å; L450-Y452 PolarHBondContact O-OH 3.33Å |
| 453 | V | 61.4 | Low | 65.9 | Low | 48 Ų | 48 | 104.2 Ų | 104.2 | 29% | 0.291 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 112.8 | 162.3 | -176.9 | 0 | 0 | 0 | 0 | 107.8 | V426 | V426-V453 PolarHBondContact O-N 3.35Å |
| 454 | V | 53.4 | Low | 63.6 | Low | 78 Ų | 78 | 110.6 Ų | 110.6 | 47% | 0.473 | 56% | 0.556 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.7 | 117.1 | 175.3 | -174.5 | 0 | 0 | 0 | 0 | 109.3 | L456 | V454-L456 HydrophobicContact CG1-CB 4.16Å; V454-L456 HydrophobicContact CG1-CD1 3.66Å; V454-L456 HydrophobicContact CG1-CG 3.84Å; V454-L456 PolarHBondContact O-N 2.96Å |
| 455 | W | 47.8 | Very low | 61.6 | Low | 230 Ų | 230 | 111.4 Ų | 111.4 | 87% | 0.871 | 56% | 0.561 | S | S | * | * | trans | -79.2 | 64.7 | 171.1 | -89.7 | 80.9 | 0 | 0 | 0 | 110.7 | L457 | W455-L457 PolarHBondContact O-N 3.41Š| ||
| 456 | L | 41.7 | Very low | 59.5 | Low | 120 Ų | 120 | 116 Ų | 116 | 63% | 0.628 | 58% | 0.584 | S | S | * | * | trans | -89.2 | 100.3 | 168.7 | -97 | 158.3 | 0 | 0 | 0 | 108.6 | V454 C458 | V454-L456 HydrophobicContact CG1-CB 4.16Å; V454-L456 HydrophobicContact CG1-CD1 3.66Å; V454-L456 HydrophobicContact CG1-CG 3.84Å; V454-L456 PolarHBondContact O-N 2.96Å; L456-C458 WeakPolarHBondContact O-CA 3.27Å; L456-C458 WeakPolarHBondContact O-CB 3.49Å; L456-C458 PolarHBondContact O-N 2.69Å | ||
| 457 | L | 43.1 | Very low | 57.5 | Low | 158 Ų | 158 | 114 Ų | 114 | 83% | 0.827 | 58% | 0.581 | S | S | * | * | trans | 29.4 | 45.1 | 158.1 | -81.1 | 164.8 | 0 | 0 | 0 | 116.6 | W455 I459 | W455-L457 PolarHBondContact O-N 3.41Å; L457-I459 VanDerWaalsContact C-N 3.29Å; L457-I459 PolarHBondContact O-N 3.1Å | ||
| 458 | C | 45.4 | Very low | 55.8 | Low | 74 Ų | 74 | 114.6 Ų | 114.6 | 50% | 0.5 | 59% | 0.589 | S | S | . | * | trans | -90.4 | 69.9 | -172.8 | -143 | 0 | 0 | 0 | 0 | 110 | L456 | L456-C458 WeakPolarHBondContact O-CA 3.27Å; L456-C458 WeakPolarHBondContact O-CB 3.49Å; L456-C458 PolarHBondContact O-N 2.69Å | ||
| 459 | I | 51.3 | Low | 54.4 | Low | 142 Ų | 142 | 116 Ų | 116 | 73% | 0.728 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -74.6 | -13.1 | 168.7 | -65.3 | 177.2 | 0 | 0 | 0 | 110.6 | L457 | L457-I459 VanDerWaalsContact C-N 3.29Å; L457-I459 PolarHBondContact O-N 3.1Å |
| 460 | I | 50.5 | Low | 53.7 | Low | 151 Ų | 151 | 113.4 Ų | 113.4 | 77% | 0.774 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -106.5 | -9 | -168.8 | -60.3 | 178.6 | 0 | 0 | 0 | 115.1 | ||
| 461 | F | 46.7 | Very low | 53.7 | Low | 126 Ų | 126 | 113.9 Ų | 113.9 | 55% | 0.553 | 59% | 0.585 | S | S | * | * | trans | -121.4 | 60.2 | 178.8 | -88.6 | -92.3 | 0 | 0 | 0 | 113.8 | T463 L464 | F461-T463 VanDerWaalsContact C-N 3.25Å; F461-T463 PolarHBondContact O-N 3.34Å; F461-L464 HydrophobicContact CD1-CB 4.44Å | ||
| 462 | I | 50.2 | Low | 54.2 | Low | 150 Ų | 150 | 112.3 Ų | 112.3 | 77% | 0.769 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | -8.6 | 176.5 | -74.2 | 176.5 | 0 | 0 | 0 | 113.5 | ||
| 463 | T | 44.5 | Very low | 55 | Low | 133 Ų | 133 | 108.4 Ų | 108.4 | 82% | 0.816 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.8 | 0.1 | -174.7 | 33.3 | 0 | 0 | 0 | 0 | 117.1 | F461 | F461-T463 VanDerWaalsContact C-N 3.25Å; F461-T463 PolarHBondContact O-N 3.34Å |
| 464 | L | 40.9 | Very low | 56.3 | Low | 134 Ų | 134 | 108.7 Ų | 108.7 | 70% | 0.702 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -124.7 | 10 | -176.7 | -140.7 | 97.7 | 0 | 0 | 0 | 116.5 | F461 | F461-L464 HydrophobicContact CD1-CB 4.44Š|
| 465 | L | 42.2 | Very low | 58.1 | Low | 125 Ų | 125 | 105.4 Ų | 105.4 | 65% | 0.654 | 55% | 0.553 | S | S | * | * | trans | -110.7 | 30.8 | -176 | -84.3 | 162.8 | 0 | 0 | 0 | 114.3 | ||||
| 466 | L | 42.5 | Very low | 60.2 | Low | 182 Ų | 182 | 95.6 Ų | 95.6 | 95% | 0.953 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -82.1 | -13.1 | 171.7 | -76.5 | 170.9 | 0 | 0 | 0 | 113.6 | A468 | L466-A468 PolarHBondContact O-N 2.66Š|
| 467 | S | 44.5 | Very low | 62.6 | Low | 97 Ų | 97 | 92.3 Ų | 92.3 | 68% | 0.678 | 50% | 0.499 | S | S | * | . | trans | -94.2 | 76.7 | 161.4 | 61.6 | 0 | 0 | 0 | 0 | 108.8 | D469 | S467-D469 VanDerWaalsContact C-N 3.32Å; S467-D469 PolarHBondContact O-N 2.95Å | ||
| 468 | A | 52.4 | Low | 64.9 | Low | 46 Ų | 46 | 85.2 Ų | 85.2 | 38% | 0.38 | 46% | 0.462 | S | S | . | . | trans | -57.6 | 106.8 | 158.1 | 0 | 0 | 0 | 0 | 0 | 106.2 | L466 R470 | L466-A468 PolarHBondContact O-N 2.66Å; A468-R470 VanDerWaalsContact C-N 3.34Å; A468-R470 HydrophobicContact CB-CG 4.47Å; A468-R470 WeakPolarHBondContact O-CG 3.13Å; A468-R470 PolarHBondContact O-N 2.81Å | ||
| 469 | D | 60.6 | Low | 67.1 | Low | 93 Ų | 93 | 84.8 Ų | 84.8 | 50% | 0.497 | 46% | 0.455 | S | S | . | . | trans | -68.8 | 91.7 | -178.1 | -168 | 12.7 | 0 | 0 | 0 | 108 | R451 S467 | R451-D469 VanDerWaalsContact CD-CG 3.43Å; R451-D469 WeakPolarHBondContact CD-OD2 3.05Å; R451-D469 IonicContact CZ-OD2 3.35Å; R451-D469 IonicContact NE-OD2 3.66Å; R451-D469 PolarHBondContact NE-OD2 3.01Å; R451-D469 IonicContact NH1-OD2 2.72Å; R451-D469 PolarHBondContact NH1-OD2 3.46Å; S467-D469 VanDerWaalsContact C-N 3.32Å; S467-D469 PolarHBondContact O-N 2.95Å | ||
| 470 | R | 71.6 | Confident | 69 | Low | 71 Ų | 71 | 81.3 Ų | 81.3 | 27% | 0.268 | 44% | 0.441 | S | S | . | . | trans | -97.2 | 136.6 | -178.6 | -63.2 | 170.9 | -171.1 | -170.4 | -3.4 | 108.7 | W411 Y423 N425 A468 M472 | W411-R470 VanDerWaalsContact CE2-CZ 3.49Å; W411-R470 VanDerWaalsContact CE2-NH2 3.33Å; Y423-R470 HydrophobicContact CD1-CB 4.08Å; Y423-R470 HydrophobicContact CG-CB 4.45Å; N425-R470 HydrophobicContact CB-CG 4.45Å; A468-R470 VanDerWaalsContact C-N 3.34Å; A468-R470 HydrophobicContact CB-CG 4.47Å; A468-R470 WeakPolarHBondContact O-CG 3.13Å; A468-R470 PolarHBondContact O-N 2.81Å; R470-M472 PolarHBondContact O-N 2.79Å | ||
| 471 | S | 86 | Confident | 70.9 | Confident | 12 Ų | 12 | 78.4 Ų | 78.4 | 8% | 0.084 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 114.1 | 171.9 | -60.8 | 0 | 0 | 0 | 0 | 108.7 | Y423 V424 | Y423-S471 WeakPolarHBondContact CA-O 3.04Å; V424-S471 PolarHBondContact N-O 2.9Å; V424-S471 PolarHBondContact O-N 3.04Å |
| 472 | M | 88.7 | Confident | 73.1 | Confident | 107 Ų | 107 | 73.4 Ų | 73.4 | 53% | 0.527 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 129.2 | 173.3 | -178.2 | -174.7 | 173.5 | 0 | 0 | 109.3 | V421 L422 Y423 R470 | V421-M472 HydrophobicContact CB-CE 4.13Å; V421-M472 HydrophobicContact CG1-CE 3.75Å; L422-M472 CarbonylContact O-C 3.52Å; L422-M472 WeakPolarHBondContact O-CA 3.36Å; Y423-M472 HydrophobicContact CD1-CB 4.04Å; Y423-M472 HydrophobicContact CD1-CG 4.39Å; Y423-M472 HydrophobicContact CE1-CB 3.86Å; Y423-M472 HydrophobicContact CE1-CG 3.93Å; Y423-M472 HydrophobicContact CE1-SD 4.49Å; R470-M472 PolarHBondContact O-N 2.79Å |
| 473 | I | 90.3 | Very high | 75.2 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 120.7 | 178.2 | -58.9 | 177.4 | 0 | 0 | 0 | 107.8 | L422 V424 A438 D440 I448 L485 | L422-I473 HydrophobicContact CB-CB 4.21Å; L422-I473 PolarHBondContact N-O 3.34Å; L422-I473 VanDerWaalsContact N-O 3.09Å; L422-I473 PolarHBondContact O-N 3.05Å; V424-I473 HydrophobicContact CB-CD1 4.41Å; V424-I473 HydrophobicContact CG2-CD1 3.81Å; A438-I473 HydrophobicContact CB-CD1 3.95Å; D440-I473 HydrophobicContact CB-CG2 3.88Å; I448-I473 HydrophobicContact CD1-CG1 4.27Å; I473-L485 HydrophobicContact CD1-CD1 3.38Å; I473-L485 HydrophobicContact CG2-CD1 4.48Å |
| 474 | P | 88.6 | Confident | 77.5 | Confident | 54 Ų | 54 | 60.5 Ų | 60.5 | 35% | 0.351 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 144.8 | 177.5 | 29.7 | -33.9 | 0 | 0 | 0 | 110.5 | ||
| 475 | L | 91.7 | Very high | 80.1 | Confident | 8 Ų | 8 | 54.1 Ų | 54.1 | 4% | 0.042 | 31% | 0.307 | C | S | . | . | trans | -82.4 | 124.1 | 172.1 | -72.7 | 178.1 | 0 | 0 | 0 | 109.7 | L391 A420 L422 I484 A509 | L391-L475 HydrophobicContact CD1-CD1 3.86Å; L391-L475 HydrophobicContact CD1-CD2 4.25Å; A420-L475 HydrophobicContact CB-CD1 3.43Å; A420-L475 VanDerWaalsContact CB-CD1 3.43Å; A420-L475 WeakPolarHBondContact O-CD1 3.37Å; L422-L475 HydrophobicContact CD1-CD2 3.58Å; L422-L475 HydrophobicContact CD2-CD2 4.01Å; L422-L475 HydrophobicContact CG-CD2 3.53Å; L422-L475 HydrophobicContact CG-CG 4.09Å; L475-I484 HydrophobicContact CD2-CB 3.95Å; L475-I484 HydrophobicContact CD2-CD1 3.63Å; L475-I484 HydrophobicContact CD2-CG1 4.32Å; L475-I484 HydrophobicContact CD2-CG2 4.26Å; L475-A509 HydrophobicContact CB-CB 3.87Å; L475-A509 VanDerWaalsContact O-CB 3.24Å; L475-A509 WeakPolarHBondContact O-CB 3.33Å; L475-A509 PolarHBondContact O-N 3.13Å | ||
| 476 | K | 91.9 | Very high | 82.6 | Confident | 25 Ų | 25 | 48.6 Ų | 48.6 | 11% | 0.109 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 150.8 | 173.4 | -70.1 | 175.8 | 178 | 167.7 | 0 | 110.2 | D440 A441 D445 V506 A507 | D440-K476 HydrophobicContact CB-CD 4.33Å; D440-K476 IonicContact OD1-NZ 2.66Å; D440-K476 WeakPolarHBondContact OD2-CD 3.32Å; D440-K476 WeakPolarHBondContact OD2-CE 3.36Å; D440-K476 IonicContact OD2-NZ 2.62Å; D440-K476 PolarHBondContact OD2-NZ 2.8Å; A441-K476 HydrophobicContact CB-CB 3.9Å; D445-K476 IonicContact OD2-NZ 2.96Å; D445-K476 PolarHBondContact OD2-NZ 3.5Å; K476-V506 HydrophobicContact CB-CG1 4.12Å; K476-V506 HydrophobicContact CD-CG1 3.78Å; K476-V506 HydrophobicContact CG-CG1 4.36Å; K476-A507 CarbonylContact C-O 3.54Å; K476-A507 VanDerWaalsContact CA-O 3.32Å; K476-A507 WeakPolarHBondContact CA-O 3.39Å |
| 477 | L | 91 | Very high | 85 | Confident | 50 Ų | 50 | 40 Ų | 40 | 26% | 0.262 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 130.9 | 172.9 | -175.2 | 68.9 | 0 | 0 | 0 | 108.6 | P388 A507 | P388-L477 HydrophobicContact CG-CD1 4.31Å; L477-A507 PolarHBondContact N-O 3.14Å; L477-A507 PolarHBondContact O-N 2.74Å |
| 478 | T | 91.7 | Very high | 87.2 | Confident | 10 Ų | 10 | 35.4 Ų | 35.4 | 6% | 0.061 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 154.4 | -179.5 | 65.6 | 0 | 0 | 0 | 0 | 111.3 | A441 P480 P481 T482 V503 E505 V506 | A441-T478 HydrophobicContact CB-CG2 3.74Å; T478-P480 CarbonylContact C-O 3.59Å; T478-P480 WeakPolarHBondContact CB-O 3.43Å; T478-P480 CarbonylContact O-C 3.55Å; T478-P480 VanDerWaalsContact O-C 3.27Å; T478-P480 PolarHBondContact OG1-O 3.38Å; T478-P481 WeakPolarHBondContact O-CA 3.43Å; T478-T482 WeakPolarHBondContact CG2-OG1 3.3Å; T478-T482 WeakPolarHBondContact OG1-CB 3.25Å; T478-T482 PolarHBondContact OG1-N 2.93Å; T478-T482 PolarHBondContact OG1-OG1 3Å; T478-V503 HydrophobicContact CG2-CG1 4.08Å; T478-E505 VanDerWaalsContact CA-O 3.29Å; T478-E505 WeakPolarHBondContact CA-O 3.21Å; T478-V506 HydrophobicContact CG2-CB 4.46Å; T478-V506 HydrophobicContact CG2-CG1 4.19Å; T478-V506 HydrophobicContact CG2-CG2 3.91Å |
| 479 | D | 91.5 | Very high | 89 | Confident | 65 Ų | 65 | 35.1 Ų | 35.1 | 35% | 0.348 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 113.5 | 168.2 | -171.4 | 15.2 | 0 | 0 | 0 | 110.2 | R504 E505 | D479-R504 WeakPolarHBondContact O-CB 3.39Å; D479-R504 PolarHBondContact O-N 3.26Å; D479-R504 IonicContact OD2-CZ 2.81Å; D479-R504 IonicContact OD2-NH1 2.96Å; D479-R504 PolarHBondContact OD2-NH1 3.44Å; D479-R504 IonicContact OD2-NH2 3.67Å; D479-R504 PolarHBondContact OD2-NH2 3.03Å; D479-E505 PolarHBondContact N-O 2.78Å |
| 480 | P | 92 | Very high | 90.3 | Very high | 68 Ų | 68 | 33.6 Ų | 33.6 | 44% | 0.442 | 18% | 0.184 | S | C | . | . | S | Bend | cis | -66.1 | 161.4 | -1.5 | 29.9 | -36.2 | 0 | 0 | 0 | 112.8 | T478 T482 | T478-P480 CarbonylContact C-O 3.59Å; T478-P480 WeakPolarHBondContact CB-O 3.43Å; T478-P480 CarbonylContact O-C 3.55Å; T478-P480 VanDerWaalsContact O-C 3.27Å; T478-P480 PolarHBondContact OG1-O 3.38Å; P480-T482 PolarHBondContact O-N 2.74Å |
| 481 | P | 90.5 | Very high | 91 | Very high | 90 Ų | 90 | 38.1 Ų | 38.1 | 58% | 0.584 | 20% | 0.201 | S | C | * | . | trans | -58.7 | 130 | 175.9 | -23.9 | 34.1 | 0 | 0 | 0 | 111.7 | T478 | T478-P481 WeakPolarHBondContact O-CA 3.43Š| ||
| 482 | T | 92.2 | Very high | 91 | Very high | 22 Ų | 22 | 40.3 Ų | 40.3 | 14% | 0.135 | 22% | 0.217 | C | C | . | . | trans | -122.6 | 160.2 | 174.9 | 61.3 | 0 | 0 | 0 | 0 | 109.7 | G442 T478 P480 I501 V503 | G442-T482 PolarHBondContact N-OG1 3.24Å; T478-T482 WeakPolarHBondContact CG2-OG1 3.3Å; T478-T482 WeakPolarHBondContact OG1-CB 3.25Å; T478-T482 PolarHBondContact OG1-N 2.93Å; T478-T482 PolarHBondContact OG1-OG1 3Å; P480-T482 PolarHBondContact O-N 2.74Å; T482-I501 HydrophobicContact CG2-CG2 3.99Å; T482-V503 HydrophobicContact CG2-CG1 3.82Å | ||
| 483 | P | 93.4 | Very high | 90.9 | Very high | 10 Ų | 10 | 36.6 Ų | 36.6 | 7% | 0.065 | 20% | 0.198 | C | C | . | . | trans | -49.8 | 139.9 | 171 | -26.3 | 25 | 0 | 0 | 0 | 113 | E383 F384 D385 A441 Y486 | E383-P483 HydrophobicContact CB-CB 3.93Å; E383-P483 HydrophobicContact CB-CG 4Å; E383-P483 HydrophobicContact CG-CG 4.43Å; E383-P483 WeakPolarHBondContact OE2-CG 3.4Å; F384-P483 WeakPolarHBondContact O-CA 3.37Å; D385-P483 HydrophobicContact CB-CB 4.37Å; D385-P483 HydrophobicContact CB-CG 4.18Å; A441-P483 WeakPolarHBondContact CA-O 3.34Å; P483-Y486 HydrophobicContact CB-CE1 4.13Å; P483-Y486 HydrophobicContact CB-CE2 3.92Å; P483-Y486 WeakPolarHBondContact CD-OH 3.25Å; P483-Y486 HydrophobicContact CG-CE1 4.06Å; P483-Y486 HydrophobicContact CG-CE2 4.5Å; P483-Y486 WeakPolarHBondContact CG-OH 3.38Å; P483-Y486 VanDerWaalsContact O-CE2 3.28Å; P483-Y486 WeakPolarHBondContact O-CE2 3.38Å | ||
| 484 | I | 93.9 | Very high | 90.7 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -80.7 | -17.2 | -174.3 | 50.8 | 167.9 | 0 | 0 | 0 | 113.8 | F384 Q386 P388 L391 L422 A441 L475 | F384-I484 HydrophobicContact CB-CG1 4.16Å; F384-I484 HydrophobicContact CD1-CD1 3.53Å; F384-I484 HydrophobicContact CD1-CG1 3.82Å; F384-I484 HydrophobicContact CE1-CD1 3.62Å; F384-I484 HydrophobicContact CE1-CG1 4.42Å; F384-I484 HydrophobicContact CG-CD1 4.07Å; F384-I484 HydrophobicContact CG-CG1 4.02Å; F384-I484 HydrophobicContact CZ-CD1 4.25Å; F384-I484 WeakPolarHBondContact O-CG1 3.39Å; F384-I484 PolarHBondContact O-N 3.48Å; Q386-I484 HydrophobicContact CB-CD1 3.89Å; Q386-I484 HydrophobicContact CB-CG1 4.48Å; Q386-I484 WeakPolarHBondContact O-CG2 3.28Å; P388-I484 HydrophobicContact CG-CG2 3.88Å; L391-I484 HydrophobicContact CD1-CD1 3.57Å; L422-I484 HydrophobicContact CD1-CD1 4.2Å; A441-I484 PolarHBondContact N-O 3.22Å; L475-I484 HydrophobicContact CD2-CB 3.95Å; L475-I484 HydrophobicContact CD2-CD1 3.63Å; L475-I484 HydrophobicContact CD2-CG1 4.32Å; L475-I484 HydrophobicContact CD2-CG2 4.26Å |
| 485 | L | 94.7 | Very high | 90.6 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 134.9 | 179.6 | 172.7 | 69.5 | 0 | 0 | 0 | 109.4 | E383 F384 I410 L422 V424 A438 C439 I473 I487 | E383-L485 CarbonylContact C-O 3.53Å; E383-L485 WeakPolarHBondContact CA-O 3.49Å; F384-L485 HydrophobicContact CB-CB 3.8Å; F384-L485 HydrophobicContact CB-CD2 4.48Å; F384-L485 HydrophobicContact CD1-CB 4.31Å; F384-L485 HydrophobicContact CD1-CD2 4.42Å; F384-L485 PolarHBondContact N-O 3.4Å; I410-L485 HydrophobicContact CD1-CD2 4.05Å; I410-L485 HydrophobicContact CG1-CD2 4.44Å; L422-L485 HydrophobicContact CD1-CB 4.09Å; L422-L485 HydrophobicContact CD1-CD2 4.41Å; V424-L485 HydrophobicContact CG2-CD1 4.44Å; V424-L485 HydrophobicContact CG2-CD2 3.76Å; A438-L485 HydrophobicContact CB-CD1 3.98Å; C439-L485 WeakPolarHBondContact O-CA 3.44Å; C439-L485 WeakPolarHBondContact O-CD1 3.47Å; I473-L485 HydrophobicContact CD1-CD1 3.38Å; I473-L485 HydrophobicContact CG2-CD1 4.48Å; L485-I487 HydrophobicContact CD1-CG1 4.26Å; L485-I487 HydrophobicContact CD2-CD1 4.05Å; L485-I487 HydrophobicContact CD2-CG1 4.29Å; L485-I487 HydrophobicContact CG-CD1 4.4Å; L485-I487 HydrophobicContact CG-CG1 4.08Å |
| 486 | Y | 94.2 | Very high | 90.3 | Very high | 9 Ų | 9 | 45.8 Ų | 45.8 | 4% | 0.035 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 140.2 | 168.6 | -57.3 | -106.4 | 0 | 0 | 0 | 109 | H381 L382 E383 A438 C439 C443 P483 I501 | H381-Y486 AromaticContact CD2-CD1 3.93Å; L382-Y486 CarbonylContact O-C 3.44Å; L382-Y486 WeakPolarHBondContact O-CA 3.36Å; E383-Y486 HydrophobicContact CB-CD1 4.42Å; E383-Y486 HydrophobicContact CB-CE1 4.49Å; E383-Y486 HydrophobicContact CG-CD1 3.76Å; E383-Y486 HydrophobicContact CG-CE1 3.84Å; A438-Y486 WeakPolarHBondContact CA-O 3.35Å; A438-Y486 WeakPolarHBondContact CB-O 3.3Å; C439-Y486 PolarHBondContact N-O 3.21Å; C439-Y486 VanDerWaalsContact N-O 3.09Å; C439-Y486 PolarHBondContact O-N 2.93Å; C439-Y486 VanDerWaalsContact SG-CB 3.59Å; C443-Y486 WeakPolarHBondContact SG-CD2 3.45Å; P483-Y486 HydrophobicContact CB-CE1 4.13Å; P483-Y486 HydrophobicContact CB-CE2 3.92Å; P483-Y486 WeakPolarHBondContact CD-OH 3.25Å; P483-Y486 HydrophobicContact CG-CE1 4.06Å; P483-Y486 HydrophobicContact CG-CE2 4.5Å; P483-Y486 WeakPolarHBondContact CG-OH 3.38Å; P483-Y486 VanDerWaalsContact O-CE2 3.28Å; P483-Y486 WeakPolarHBondContact O-CE2 3.38Å; Y486-I501 HydrophobicContact CE1-CD1 4.12Å; Y486-I501 HydrophobicContact CE2-CD1 4.21Å |
| 487 | I | 93.6 | Very high | 90 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 130 | 176.7 | -57.9 | 178.2 | 0 | 0 | 0 | 109.4 | H381 L382 V408 V424 L436 L437 A438 L450 L485 | H381-I487 CarbonylContact C-O 3.55Å; H381-I487 WeakPolarHBondContact CA-O 3.44Å; H381-I487 WeakPolarHBondContact CB-O 3.27Å; L382-I487 HydrophobicContact CB-CB 4.39Å; L382-I487 PolarHBondContact N-O 3.38Å; L382-I487 PolarHBondContact O-N 3.38Å; V408-I487 HydrophobicContact CB-CD1 4.47Å; V408-I487 HydrophobicContact CG1-CD1 3.78Å; V408-I487 HydrophobicContact CG2-CD1 4.2Å; V424-I487 HydrophobicContact CG1-CD1 4.08Å; L436-I487 HydrophobicContact CB-CG2 4.45Å; L436-I487 HydrophobicContact CD2-CG2 3.92Å; L436-I487 HydrophobicContact CG-CG2 4.25Å; L437-I487 VanDerWaalsContact O-CA 3.31Å; L437-I487 WeakPolarHBondContact O-CA 2.97Å; A438-I487 HydrophobicContact CB-CG1 4.29Å; L450-I487 HydrophobicContact CD1-CD1 4.16Å; L450-I487 HydrophobicContact CD1-CG1 4.34Å; L450-I487 HydrophobicContact CD1-CG2 4.04Å; L485-I487 HydrophobicContact CD1-CG1 4.26Å; L485-I487 HydrophobicContact CD2-CD1 4.05Å; L485-I487 HydrophobicContact CD2-CG1 4.29Å; L485-I487 HydrophobicContact CG-CD1 4.4Å; L485-I487 HydrophobicContact CG-CG1 4.08Å |
| 488 | T | 91.6 | Very high | 89.8 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.006 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 156.4 | 176.7 | -172.2 | 0 | 0 | 0 | 0 | 111.6 | H380 L437 D490 F494 | H380-T488 PolarHBondContact O-OG1 3.45Å; L437-T488 HydrophobicContact CB-CG2 4.41Å; L437-T488 PolarHBondContact N-O 2.88Å; L437-T488 PolarHBondContact O-N 3.37Å; T488-D490 VanDerWaalsContact CG2-O 3.28Å; T488-D490 WeakPolarHBondContact CG2-O 3.31Å; T488-D490 PolarHBondContact OG1-N 3.18Å; T488-F494 HydrophobicContact CG2-CB 4.41Å; T488-F494 HydrophobicContact CG2-CD2 3.81Å |
| 489 | D | 88.5 | Confident | 89.5 | Confident | 40 Ų | 40 | 52.4 Ų | 52.4 | 21% | 0.214 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -99.3 | 1 | 170.3 | 56.4 | -20.2 | 0 | 0 | 0 | 113.3 | R294 F402 N434 L436 | R294-D489 IonicContact CZ-OD1 2.86Å; R294-D489 IonicContact NH1-OD1 3.02Å; R294-D489 IonicContact NH2-OD1 3.81Å; R294-D489 PolarHBondContact NH2-OD1 2.89Å; R294-D489 IonicContact NH2-OD2 3.63Å; R294-D489 PolarHBondContact NH2-OD2 3.05Å; F402-D489 HydrophobicContact CE1-CB 3.91Å; N434-D489 PolarHBondContact ND2-O 2.91Å; L436-D489 HydrophobicContact CD1-CB 4.28Å |
| 490 | D | 88.6 | Confident | 89.2 | Confident | 61 Ų | 61 | 52.7 Ų | 52.7 | 33% | 0.326 | 27% | 0.271 | S | S | . | . | trans | -116.4 | 114.1 | 178.5 | -177 | -3.2 | 0 | 0 | 0 | 110.8 | T488 S492 H493 F494 | T488-D490 VanDerWaalsContact CG2-O 3.28Å; T488-D490 WeakPolarHBondContact CG2-O 3.31Å; T488-D490 PolarHBondContact OG1-N 3.18Å; D490-S492 VanDerWaalsContact C-N 3.33Å; D490-S492 VanDerWaalsContact CG-OG 3.31Å; D490-S492 PolarHBondContact O-N 2.96Å; D490-S492 WeakPolarHBondContact OD1-CB 3.37Å; D490-S492 PolarHBondContact OD1-N 2.72Å; D490-S492 PolarHBondContact OD1-OG 2.85Å; D490-S492 PolarHBondContact OD2-OG 2.68Å; D490-H493 HydrophobicContact CB-CB 3.74Å; D490-H493 PolarHBondContact O-N 2.85Å; D490-H493 PolarHBondContact OD1-N 3.17Å; D490-F494 PolarHBondContact O-N 2.9Å | ||
| 491 | R | 86.3 | Confident | 88.9 | Confident | 166 Ų | 166 | 50.7 Ų | 50.7 | 63% | 0.626 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -66.3 | -35.8 | 177.8 | -170.7 | 169.7 | -177.6 | 169.5 | 2.5 | 112.5 | L437 F494 | L437-R491 HydrophobicContact CD1-CB 3.72Å; L437-R491 HydrophobicContact CD1-CG 3.89Å; R491-F494 VanDerWaalsContact O-CB 3.24Å; R491-F494 WeakPolarHBondContact O-CB 3.36Å; R491-F494 PolarHBondContact O-N 2.81Å |
| 492 | S | 87.3 | Confident | 88.7 | Confident | 58 Ų | 58 | 53.4 Ų | 53.4 | 41% | 0.406 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -70.8 | -37.2 | -179.4 | 69.7 | 0 | 0 | 0 | 0 | 111.6 | D490 F494 D495 Y496 | D490-S492 VanDerWaalsContact C-N 3.33Å; D490-S492 VanDerWaalsContact CG-OG 3.31Å; D490-S492 PolarHBondContact O-N 2.96Å; D490-S492 WeakPolarHBondContact OD1-CB 3.37Å; D490-S492 PolarHBondContact OD1-N 2.72Å; D490-S492 PolarHBondContact OD1-OG 2.85Å; D490-S492 PolarHBondContact OD2-OG 2.68Å; S492-F494 PolarHBondContact O-N 2.82Å; S492-D495 PolarHBondContact O-N 3.44Å; S492-D495 VanDerWaalsContact O-N 3.1Å; S492-Y496 WeakPolarHBondContact O-CD2 3.27Å; S492-Y496 PolarHBondContact O-N 3.34Å |
| 493 | H | 86.4 | Confident | 88.5 | Confident | 29 Ų | 29 | 54.2 Ų | 54.2 | 13% | 0.134 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -56.3 | -36.2 | 172.4 | -174.3 | 63 | 0 | 0 | 0 | 112.5 | H380 H381 D490 D495 Y496 L497 | H380-H493 VanDerWaalsContact CB-CE1 3.46Å; H380-H493 WeakPolarHBondContact CB-CE1 3.4Å; H380-H493 WeakPolarHBondContact CB-NE2 3.29Å; H380-H493 AromaticContact CG-CE1 3.95Å; H381-H493 AromaticContact CE1-NE2 3.66Å; H381-H493 AromaticContact CG-NE2 3.7Å; H381-H493 AromaticContact ND1-CD2 3.78Å; H381-H493 AromaticContact ND1-CE1 3.84Å; H381-H493 AromaticContact ND1-NE2 2.88Å; H381-H493 PolarHBondContact ND1-NE2 3.18Å; D490-H493 HydrophobicContact CB-CB 3.74Å; D490-H493 PolarHBondContact O-N 2.85Å; D490-H493 PolarHBondContact OD1-N 3.17Å; H493-D495 PolarHBondContact O-N 2.81Å; H493-Y496 PolarHBondContact O-N 2.95Å; H493-L497 PolarHBondContact O-N 2.86Å |
| 494 | F | 84.9 | Confident | 88.3 | Confident | 2 Ų | 2 | 61.8 Ų | 61.8 | 1% | 0.009 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.3 | -40.4 | 176.9 | -153.9 | -86.5 | 0 | 0 | 0 | 113 | C439 C443 P447 T488 D490 R491 S492 Y496 L497 K498 | C439-F494 HydrophobicContact CB-CE1 4.14Å; C439-F494 HydrophobicContact CB-CE2 3.83Å; C439-F494 HydrophobicContact CB-CZ 3.24Å; C439-F494 WeakPolarHBondContact SG-CE2 3.47Å; C439-F494 WeakPolarHBondContact SG-CZ 3.33Å; C443-F494 HydrophobicContact CB-CE1 4.25Å; C443-F494 HydrophobicContact CB-CZ 4.41Å; P447-F494 HydrophobicContact CB-CD1 4.37Å; P447-F494 HydrophobicContact CB-CD2 4.47Å; P447-F494 HydrophobicContact CB-CE1 3.87Å; P447-F494 HydrophobicContact CB-CE2 3.95Å; P447-F494 HydrophobicContact CB-CZ 3.56Å; P447-F494 HydrophobicContact CG-CD1 4.45Å; P447-F494 HydrophobicContact CG-CE1 4.22Å; P447-F494 HydrophobicContact CG-CZ 4.4Å; T488-F494 HydrophobicContact CG2-CB 4.41Å; T488-F494 HydrophobicContact CG2-CD2 3.81Å; D490-F494 PolarHBondContact O-N 2.9Å; R491-F494 VanDerWaalsContact O-CB 3.24Å; R491-F494 WeakPolarHBondContact O-CB 3.36Å; R491-F494 PolarHBondContact O-N 2.81Å; S492-F494 PolarHBondContact O-N 2.82Å; F494-Y496 VanDerWaalsContact C-N 3.3Å; F494-Y496 PolarHBondContact O-N 2.89Å; F494-L497 PolarHBondContact O-N 2.92Å; F494-K498 HydrophobicContact CD1-CD 4.49Å; F494-K498 HydrophobicContact CD1-CG 4.46Å; F494-K498 WeakPolarHBondContact O-CG 3.39Å; F494-K498 PolarHBondContact O-N 2.9Å; F494-K498 VanDerWaalsContact O-N 3.11Å |
| 495 | D | 86.2 | Confident | 88 | Confident | 95 Ų | 95 | 67.1 Ų | 67.1 | 51% | 0.508 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.8 | -35.9 | 176.8 | -66.1 | -35.7 | 0 | 0 | 0 | 111 | S492 H493 | S492-D495 PolarHBondContact O-N 3.44Å; S492-D495 VanDerWaalsContact O-N 3.1Å; H493-D495 PolarHBondContact O-N 2.81Å |
| 496 | Y | 87.2 | Confident | 87.7 | Confident | 158 Ų | 158 | 69.4 Ų | 69.4 | 62% | 0.62 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -67.9 | -39.6 | 172.3 | -65.1 | -63.4 | 0 | 0 | 0 | 112.7 | S492 H493 F494 K498 M499 S500 | S492-Y496 WeakPolarHBondContact O-CD2 3.27Å; S492-Y496 PolarHBondContact O-N 3.34Å; H493-Y496 PolarHBondContact O-N 2.95Å; F494-Y496 VanDerWaalsContact C-N 3.3Å; F494-Y496 PolarHBondContact O-N 2.89Å; Y496-K498 VanDerWaalsContact C-N 3.31Å; Y496-K498 PolarHBondContact O-N 2.83Å; Y496-M499 WeakPolarHBondContact O-CB 3.21Å; Y496-M499 PolarHBondContact O-N 3.08Å; Y496-M499 VanDerWaalsContact O-N 3.11Å; Y496-S500 PolarHBondContact O-N 2.94Å |
| 497 | L | 85.5 | Confident | 87.5 | Confident | 13 Ų | 13 | 71.8 Ų | 71.8 | 7% | 0.068 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59.1 | -43.2 | 176.1 | -80.3 | 171.2 | 0 | 0 | 0 | 111.4 | H493 F494 M499 S500 I501 | H493-L497 PolarHBondContact O-N 2.86Å; F494-L497 PolarHBondContact O-N 2.92Å; L497-M499 PolarHBondContact O-N 3.5Å; L497-S500 PolarHBondContact O-N 2.98Å; L497-S500 PolarHBondContact O-OG 3.21Å; L497-I501 HydrophobicContact CB-CD1 4.4Å; L497-I501 WeakPolarHBondContact O-CG1 3.21Å; L497-I501 PolarHBondContact O-N 3.21Å |
| 498 | K | 85.5 | Confident | 87.3 | Confident | 66 Ų | 66 | 77.1 Ų | 77.1 | 29% | 0.287 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -55.4 | -35 | 175.3 | -70.7 | -176.5 | -179.8 | -160.4 | 0 | 113 | C443 D445 F494 Y496 S500 | C443-K498 HydrophobicContact CB-CG 4.39Å; C443-K498 WeakPolarHBondContact O-CE 3.31Å; C443-K498 WeakPolarHBondContact O-CG 3.42Å; D445-K498 PolarHBondContact O-NZ 3.35Å; F494-K498 HydrophobicContact CD1-CD 4.49Å; F494-K498 HydrophobicContact CD1-CG 4.46Å; F494-K498 WeakPolarHBondContact O-CG 3.39Å; F494-K498 PolarHBondContact O-N 2.9Å; F494-K498 VanDerWaalsContact O-N 3.11Å; Y496-K498 VanDerWaalsContact C-N 3.31Å; Y496-K498 PolarHBondContact O-N 2.83Å; K498-S500 VanDerWaalsContact C-N 3.35Å |
| 499 | M | 84.7 | Confident | 87.1 | Confident | 146 Ų | 146 | 77.7 Ų | 77.7 | 72% | 0.719 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -76 | -24.3 | 177.5 | -61.6 | 178.7 | 68.8 | 0 | 0 | 112.9 | Y496 L497 | Y496-M499 WeakPolarHBondContact O-CB 3.21Å; Y496-M499 PolarHBondContact O-N 3.08Å; Y496-M499 VanDerWaalsContact O-N 3.11Å; L497-M499 PolarHBondContact O-N 3.5Å |
| 500 | S | 86 | Confident | 87.1 | Confident | 71 Ų | 71 | 79.9 Ų | 79.9 | 50% | 0.497 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -89.4 | -28.6 | -178.4 | 73.4 | 0 | 0 | 0 | 0 | 113.6 | Y496 L497 K498 H502 | Y496-S500 PolarHBondContact O-N 2.94Å; L497-S500 PolarHBondContact O-N 2.98Å; L497-S500 PolarHBondContact O-OG 3.21Å; K498-S500 VanDerWaalsContact C-N 3.35Å; S500-H502 PolarHBondContact O-CE1 2.84Å; S500-H502 PolarHBondContact O-N 3.49Å; S500-H502 PolarHBondContact O-ND1 3.28Å |
| 501 | I | 86.1 | Confident | 87.1 | Confident | 26 Ų | 26 | 79.2 Ų | 79.2 | 13% | 0.133 | 41% | 0.406 | C | S | . | . | trans | -84 | 110.1 | -176.9 | -62.4 | 164 | 0 | 0 | 0 | 109.4 | C443 T482 Y486 L497 V503 | C443-I501 HydrophobicContact CB-CD1 4.32Å; T482-I501 HydrophobicContact CG2-CG2 3.99Å; Y486-I501 HydrophobicContact CE1-CD1 4.12Å; Y486-I501 HydrophobicContact CE2-CD1 4.21Å; L497-I501 HydrophobicContact CB-CD1 4.4Å; L497-I501 WeakPolarHBondContact O-CG1 3.21Å; L497-I501 PolarHBondContact O-N 3.21Å; I501-V503 HydrophobicContact CG2-CG1 4Å | ||
| 502 | H | 85.8 | Confident | 87.3 | Confident | 147 Ų | 147 | 72.6 Ų | 72.6 | 68% | 0.681 | 38% | 0.382 | S | S | * | . | trans | -103.6 | 114.3 | 178.3 | -62.6 | 77 | 0 | 0 | 0 | 109.4 | S500 | S500-H502 PolarHBondContact O-CE1 2.84Å; S500-H502 PolarHBondContact O-N 3.49Å; S500-H502 PolarHBondContact O-ND1 3.28Å | ||
| 503 | V | 88.8 | Confident | 87.4 | Confident | 38 Ų | 38 | 75.7 Ų | 75.7 | 23% | 0.23 | 39% | 0.39 | C | S | . | . | trans | -124.6 | 135.2 | 177.8 | -67.9 | 0 | 0 | 0 | 0 | 109.5 | L444 T478 T482 I501 V506 | L444-V503 HydrophobicContact CD2-CG2 4.48Å; T478-V503 HydrophobicContact CG2-CG1 4.08Å; T482-V503 HydrophobicContact CG2-CG1 3.82Å; I501-V503 HydrophobicContact CG2-CG1 4Å; V503-V506 HydrophobicContact CB-CG2 4.04Å; V503-V506 HydrophobicContact CG2-CG2 3.59Å | ||
| 504 | R | 87.6 | Confident | 87.4 | Confident | 170 Ų | 170 | 80.5 Ų | 80.5 | 64% | 0.642 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -79.5 | -45.3 | 173.5 | -169.3 | 179.5 | 79.6 | -130.6 | -3.7 | 110.5 | D479 | D479-R504 WeakPolarHBondContact O-CB 3.39Å; D479-R504 PolarHBondContact O-N 3.26Å; D479-R504 IonicContact OD2-CZ 2.81Å; D479-R504 IonicContact OD2-NH1 2.96Å; D479-R504 PolarHBondContact OD2-NH1 3.44Å; D479-R504 IonicContact OD2-NH2 3.67Å; D479-R504 PolarHBondContact OD2-NH2 3.03Å |
| 505 | E | 87.6 | Confident | 87.4 | Confident | 112 Ų | 112 | 84.4 Ų | 84.4 | 52% | 0.523 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 142.8 | -175.2 | -72.7 | 164.1 | -129.3 | 0 | 0 | 109.4 | T478 D479 | T478-E505 VanDerWaalsContact CA-O 3.29Å; T478-E505 WeakPolarHBondContact CA-O 3.21Å; D479-E505 PolarHBondContact N-O 2.78Å |
| 506 | V | 88.5 | Confident | 87.4 | Confident | 49 Ų | 49 | 81.8 Ų | 81.8 | 30% | 0.297 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 121.3 | 173.2 | -177.4 | 0 | 0 | 0 | 0 | 107.2 | L444 K476 T478 V503 | L444-V506 HydrophobicContact CD1-CB 4.15Å; L444-V506 HydrophobicContact CD1-CG2 3.61Å; K476-V506 HydrophobicContact CB-CG1 4.12Å; K476-V506 HydrophobicContact CD-CG1 3.78Å; K476-V506 HydrophobicContact CG-CG1 4.36Å; T478-V506 HydrophobicContact CG2-CB 4.46Å; T478-V506 HydrophobicContact CG2-CG1 4.19Å; T478-V506 HydrophobicContact CG2-CG2 3.91Å; V503-V506 HydrophobicContact CB-CG2 4.04Å; V503-V506 HydrophobicContact CG2-CG2 3.59Å |
| 507 | A | 90.2 | Very high | 87.4 | Confident | 60 Ų | 60 | 74.5 Ų | 74.5 | 50% | 0.496 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 155 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | K476 L477 A509 | K476-A507 CarbonylContact C-O 3.54Å; K476-A507 VanDerWaalsContact CA-O 3.32Å; K476-A507 WeakPolarHBondContact CA-O 3.39Å; L477-A507 PolarHBondContact N-O 3.14Å; L477-A507 PolarHBondContact O-N 2.74Å; A507-A509 PolarHBondContact O-N 3.44Å |
| 508 | D | 89.2 | Confident | 87.3 | Confident | 112 Ų | 112 | 74 Ų | 74 | 60% | 0.599 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60 | 139.9 | 168.4 | -71 | -26.4 | 0 | 0 | 0 | 109.8 | ||
| 509 | A | 87.7 | Confident | 87.4 | Confident | 13 Ų | 13 | 72.8 Ų | 72.8 | 11% | 0.107 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 132.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | P388 L475 A507 | P388-A509 HydrophobicContact CB-CB 3.63Å; P388-A509 HydrophobicContact CG-CB 4.06Å; L475-A509 HydrophobicContact CB-CB 3.87Å; L475-A509 VanDerWaalsContact O-CB 3.24Å; L475-A509 WeakPolarHBondContact O-CB 3.33Å; L475-A509 PolarHBondContact O-N 3.13Å; A507-A509 PolarHBondContact O-N 3.44Å |
| 510 | P | 89 | Confident | 87.6 | Confident | 86 Ų | 86 | 67.1 Ų | 67.1 | 56% | 0.558 | 36% | 0.355 | S | S | * | . | P | Polyproline II helix | trans | -64.9 | 154.6 | 178.1 | 27.9 | -34.4 | 0 | 0 | 0 | 110.5 | ||
| 511 | A | 89.4 | Confident | 87.6 | Confident | 46 Ų | 46 | 68.5 Ų | 68.5 | 38% | 0.38 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -59.9 | 145.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | D417 K419 | D417-A511 WeakPolarHBondContact O-CB 3.24Å; K419-A511 HydrophobicContact CG-CB 3.73Å |
| 512 | H | 90.4 | Very high | 87.6 | Confident | 27 Ų | 27 | 71.8 Ų | 71.8 | 13% | 0.125 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 149.3 | 171.7 | -67.2 | -71.4 | 0 | 0 | 0 | 110.4 | P388 L391 D418 H514 I517 | P388-H512 PolarHBondContact O-CE1 3.27Å; L391-H512 PolarHBondContact O-NE2 2.79Å; L391-H512 VanDerWaalsContact O-NE2 3.16Å; D418-H512 WeakPolarHBondContact O-CB 3.31Å; D418-H512 PolarHBondContact O-CD2 3.32Å; D418-H512 VanDerWaalsContact O-CD2 3.31Å; D418-H512 PolarHBondContact O-N 2.96Å; H512-H514 PolarHBondContact O-N 2.88Å; H512-I517 HydrophobicContact CB-CD1 3.81Å; H512-I517 HydrophobicContact CB-CG1 3.83Å |
| 513 | E | 89.1 | Confident | 87.5 | Confident | 124 Ų | 124 | 66.3 Ų | 66.3 | 58% | 0.579 | 35% | 0.35 | S | S | * | . | P | Polyproline II helix | trans | -64 | 129 | 174.8 | -61 | 176 | 155.6 | 0 | 0 | 109.7 | H515 V516 I517 | E513-H515 PolarHBondContact O-N 2.86Å; E513-H515 IonicContact OE2-CE1 2.82Å; E513-H515 PolarHBondContact OE2-CE1 3.01Å; E513-H515 IonicContact OE2-ND1 3.71Å; E513-H515 IonicContact OE2-NE2 3.03Å; E513-H515 PolarHBondContact OE2-NE2 3.05Å; E513-V516 HydrophobicContact CB-CG2 4.14Å; E513-V516 WeakPolarHBondContact O-CB 3.35Å; E513-V516 PolarHBondContact O-N 2.96Å; E513-I517 PolarHBondContact O-N 2.91Å |
| 514 | H | 86.2 | Confident | 87.1 | Confident | 130 Ų | 130 | 69.7 Ų | 69.7 | 60% | 0.602 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -53.2 | -36.5 | -173.7 | -172.2 | 67 | 0 | 0 | 0 | 113.3 | D418 H512 V516 I517 A518 | D418-H514 IonicContact OD2-CG 2.69Å; D418-H514 IonicContact OD2-ND1 3.44Å; D418-H514 PolarHBondContact OD2-ND1 2.87Å; H512-H514 PolarHBondContact O-N 2.88Å; H514-V516 VanDerWaalsContact C-N 3.3Å; H514-V516 PolarHBondContact O-N 2.87Å; H514-I517 PolarHBondContact O-N 3.13Å; H514-A518 WeakPolarHBondContact O-CB 3.06Å; H514-A518 PolarHBondContact O-N 3.48Å |
| 515 | H | 85.2 | Confident | 86.7 | Confident | 83 Ų | 83 | 69.9 Ų | 69.9 | 38% | 0.384 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -68.6 | -27.5 | -179.5 | 71.3 | -96.2 | 0 | 0 | 0 | 113.2 | E513 M519 | E513-H515 PolarHBondContact O-N 2.86Å; E513-H515 IonicContact OE2-CE1 2.82Å; E513-H515 PolarHBondContact OE2-CE1 3.01Å; E513-H515 IonicContact OE2-ND1 3.71Å; E513-H515 IonicContact OE2-NE2 3.03Å; E513-H515 PolarHBondContact OE2-NE2 3.05Å; H515-M519 VanDerWaalsContact O-CB 3.3Å; H515-M519 WeakPolarHBondContact O-CB 3.26Å; H515-M519 PolarHBondContact O-N 3.13Å |
| 516 | V | 86.7 | Confident | 86.1 | Confident | 40 Ų | 40 | 71.8 Ų | 71.8 | 24% | 0.242 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -69.4 | -51.4 | 173.9 | 176.6 | 0 | 0 | 0 | 0 | 108.8 | H392 E513 H514 A518 M519 H520 | H392-V516 HydrophobicContact CB-CG1 4.28Å; E513-V516 HydrophobicContact CB-CG2 4.14Å; E513-V516 WeakPolarHBondContact O-CB 3.35Å; E513-V516 PolarHBondContact O-N 2.96Å; H514-V516 VanDerWaalsContact C-N 3.3Å; H514-V516 PolarHBondContact O-N 2.87Å; V516-A518 VanDerWaalsContact C-N 3.31Å; V516-A518 PolarHBondContact O-N 2.83Å; V516-M519 WeakPolarHBondContact O-CB 3.41Å; V516-M519 PolarHBondContact O-N 2.64Å; V516-M519 VanDerWaalsContact O-N 3.12Å; V516-H520 PolarHBondContact O-CD2 2.78Å; V516-H520 PolarHBondContact O-N 3.09Å; V516-H520 VanDerWaalsContact O-N 3.08Å |
| 517 | I | 85.9 | Confident | 85.5 | Confident | 5 Ų | 5 | 70.3 Ų | 70.3 | 3% | 0.026 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -59.5 | -43.6 | 177.2 | -59.5 | -57 | 0 | 0 | 0 | 111.1 | H392 V414 D418 H512 E513 H514 M519 H520 K521 | H392-I517 HydrophobicContact CB-CD1 4.07Å; H392-I517 WeakPolarHBondContact O-CD1 3.32Å; V414-I517 HydrophobicContact CG1-CD1 4.06Å; D418-I517 HydrophobicContact CB-CG1 4.07Å; D418-I517 WeakPolarHBondContact OD1-CG2 3.5Å; H512-I517 HydrophobicContact CB-CD1 3.81Å; H512-I517 HydrophobicContact CB-CG1 3.83Å; E513-I517 PolarHBondContact O-N 2.91Å; H514-I517 PolarHBondContact O-N 3.13Å; I517-M519 VanDerWaalsContact C-N 3.34Å; I517-M519 PolarHBondContact O-N 3.32Å; I517-H520 PolarHBondContact O-N 2.72Å; I517-K521 HydrophobicContact CG2-CD 3.75Å; I517-K521 HydrophobicContact CG2-CG 4.3Å; I517-K521 WeakPolarHBondContact O-CB 2.94Å; I517-K521 WeakPolarHBondContact O-CG 3.38Å; I517-K521 PolarHBondContact O-N 2.85Å |
| 518 | A | 84.5 | Confident | 84.8 | Confident | 3 Ų | 3 | 69.5 Ų | 69.5 | 3% | 0.025 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61.2 | -40.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | H514 V516 K521 H522 H524 | H514-A518 WeakPolarHBondContact O-CB 3.06Å; H514-A518 PolarHBondContact O-N 3.48Å; V516-A518 VanDerWaalsContact C-N 3.31Å; V516-A518 PolarHBondContact O-N 2.83Å; A518-K521 PolarHBondContact O-N 3Å; A518-H522 WeakPolarHBondContact O-CA 3.32Å; A518-H522 WeakPolarHBondContact O-CB 3.07Å; A518-H522 PolarHBondContact O-N 3Å; A518-H524 CarbonylContact C-O 3.56Å |
| 519 | M | 86.8 | Confident | 84.4 | Confident | 40 Ų | 40 | 68.8 Ų | 68.8 | 20% | 0.197 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -63.6 | -43.4 | 176.6 | -169.5 | -176.3 | -60.6 | 0 | 0 | 111.7 | A258 H515 V516 I517 G523 R525 | A258-M519 HydrophobicContact CB-CG 3.8Å; A258-M519 HydrophobicContact CB-SD 4.18Å; A258-M519 PolarHBondContact N-O 2.97Å; H515-M519 VanDerWaalsContact O-CB 3.3Å; H515-M519 WeakPolarHBondContact O-CB 3.26Å; H515-M519 PolarHBondContact O-N 3.13Å; V516-M519 WeakPolarHBondContact O-CB 3.41Å; V516-M519 PolarHBondContact O-N 2.64Å; V516-M519 VanDerWaalsContact O-N 3.12Å; I517-M519 VanDerWaalsContact C-N 3.34Å; I517-M519 PolarHBondContact O-N 3.32Å; M519-G523 WeakPolarHBondContact O-CA 3.38Å; M519-G523 PolarHBondContact O-N 2.74Å; M519-R525 HydrophobicContact CE-CG 3.52Å |
| 520 | H | 88.5 | Confident | 84.1 | Confident | 28 Ų | 28 | 71.9 Ų | 71.9 | 13% | 0.13 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -69.6 | -43.3 | 177.3 | -74.1 | -76.2 | 0 | 0 | 0 | 112.3 | S256 R257 H392 R393 V516 I517 | S256-H520 WeakPolarHBondContact CA-O 3Å; S256-H520 PolarHBondContact OG-ND1 3.25Å; R257-H520 PolarHBondContact N-O 2.91Å; H392-H520 AromaticContact CD2-CD2 3.34Å; H392-H520 PolarHBondContact CD2-CD2 2.91Å; H392-H520 AromaticContact CD2-CE1 3.63Å; H392-H520 AromaticContact CD2-CG 3.89Å; H392-H520 AromaticContact CD2-NE2 3.2Å; H392-H520 PolarHBondContact CD2-NE2 3.46Å; H392-H520 AromaticContact NE2-CD2 3.93Å; H392-H520 AromaticContact NE2-CE1 3.39Å; H392-H520 PolarHBondContact NE2-CE1 3.37Å; H392-H520 AromaticContact NE2-NE2 3.3Å; H392-H520 PolarHBondContact NE2-NE2 2.68Å; R393-H520 HydrophobicContact CG-CB 4.46Å; V516-H520 PolarHBondContact O-CD2 2.78Å; V516-H520 PolarHBondContact O-N 3.09Å; V516-H520 VanDerWaalsContact O-N 3.08Å; I517-H520 PolarHBondContact O-N 2.72Å |
| 521 | K | 86.8 | Confident | 83.7 | Confident | 100 Ų | 100 | 74.9 Ų | 74.9 | 44% | 0.435 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -71.2 | -40.1 | -179.1 | -72.7 | -179.9 | -178.9 | 166.3 | 0 | 112.7 | R257 I517 A518 | R257-K521 PolarHBondContact NH1-O 3.01Å; I517-K521 HydrophobicContact CG2-CD 3.75Å; I517-K521 HydrophobicContact CG2-CG 4.3Å; I517-K521 WeakPolarHBondContact O-CB 2.94Å; I517-K521 WeakPolarHBondContact O-CG 3.38Å; I517-K521 PolarHBondContact O-N 2.85Å; A518-K521 PolarHBondContact O-N 3Å |
| 522 | H | 85.6 | Confident | 83.6 | Confident | 95 Ų | 95 | 78.3 Ų | 78.3 | 44% | 0.44 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -117.8 | -13.5 | -169.5 | -58.2 | -71.3 | 0 | 0 | 0 | 114.7 | A518 H524 G528 | A518-H522 WeakPolarHBondContact O-CA 3.32Å; A518-H522 WeakPolarHBondContact O-CB 3.07Å; A518-H522 PolarHBondContact O-N 3Å; H522-H524 PolarHBondContact O-N 3.35Å; H522-G528 PolarHBondContact CD2-N 2.83Å; H522-G528 VanDerWaalsContact CD2-N 3.28Å; H522-G528 VanDerWaalsContact CG-N 3.26Å |
| 523 | G | 83.6 | Confident | 83.6 | Confident | 32 Ų | 32 | 81.1 Ų | 81.1 | 33% | 0.33 | 41% | 0.414 | S | S | . | . | S | Bend | trans | 80.9 | 1.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | R257 M519 | R257-G523 WeakPolarHBondContact O-CA 3.43Å; M519-G523 WeakPolarHBondContact O-CA 3.38Å; M519-G523 PolarHBondContact O-N 2.74Å |
| 524 | H | 80.8 | Confident | 83.7 | Confident | 108 Ų | 108 | 82.4 Ų | 82.4 | 50% | 0.5 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -138.8 | 142.1 | -178.1 | -165.5 | -92.3 | 0 | 0 | 0 | 111 | A518 H522 L526 G527 | A518-H524 CarbonylContact C-O 3.56Å; H522-H524 PolarHBondContact O-N 3.35Å; H524-L526 VanDerWaalsContact C-N 3.26Å; H524-L526 PolarHBondContact ND1-N 3.3Å; H524-L526 PolarHBondContact O-N 2.84Å; H524-G527 PolarHBondContact O-N 3.41Å |
| 525 | R | 78.2 | Confident | 84 | Confident | 175 Ų | 175 | 81.4 Ų | 81.4 | 66% | 0.66 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -32.5 | -175.5 | -67.7 | -178.4 | -178.3 | -171.5 | -0.9 | 113.7 | M519 G527 | M519-R525 HydrophobicContact CE-CG 3.52Å; R525-G527 PolarHBondContact O-N 2.75Å |
| 526 | L | 75.2 | Confident | 84.4 | Confident | 152 Ų | 152 | 81.4 Ų | 81.4 | 80% | 0.796 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -3.8 | 179.4 | -60.9 | 175.2 | 0 | 0 | 0 | 113.5 | H524 | H524-L526 VanDerWaalsContact C-N 3.26Å; H524-L526 PolarHBondContact ND1-N 3.3Å; H524-L526 PolarHBondContact O-N 2.84Å |
| 527 | G | 76.6 | Confident | 84.8 | Confident | 18 Ų | 18 | 83.1 Ų | 83.1 | 19% | 0.186 | 43% | 0.426 | C | S | . | . | trans | 72.1 | -170.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | H524 R525 | H524-G527 PolarHBondContact O-N 3.41Å; R525-G527 PolarHBondContact O-N 2.75Å | ||
| 528 | G | 74.9 | Confident | 85.2 | Confident | 43 Ų | 43 | 84.6 Ų | 84.6 | 44% | 0.443 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -91.1 | 133.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111 | H522 | H522-G528 PolarHBondContact CD2-N 2.83Å; H522-G528 VanDerWaalsContact CD2-N 3.28Å; H522-G528 VanDerWaalsContact CG-N 3.26Å |
| 529 | L | 81 | Confident | 85.7 | Confident | 97 Ų | 97 | 88.5 Ų | 88.5 | 51% | 0.508 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 138.1 | 171.1 | -72.6 | 161.1 | 0 | 0 | 0 | 109.9 | F533 | L529-F533 HydrophobicContact CB-CB 4.21Å; L529-F533 HydrophobicContact CB-CD1 3.91Å; L529-F533 HydrophobicContact CB-CG 4.1Å; L529-F533 HydrophobicContact CD1-CD1 3.74Å; L529-F533 HydrophobicContact CD1-CE1 3.57Å; L529-F533 HydrophobicContact CD1-CE2 4.43Å; L529-F533 HydrophobicContact CD1-CG 4.26Å; L529-F533 HydrophobicContact CD1-CZ 3.94Å; L529-F533 HydrophobicContact CD2-CD2 4.35Å; L529-F533 HydrophobicContact CD2-CG 4.31Å; L529-F533 HydrophobicContact CG-CD1 4.29Å; L529-F533 HydrophobicContact CG-CG 4.46Å |
| 530 | P | 81.1 | Confident | 86.2 | Confident | 77 Ų | 77 | 92 Ų | 92 | 50% | 0.5 | 49% | 0.485 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 154.6 | -176.1 | 26.2 | -34.8 | 0 | 0 | 0 | 111.2 | I532 F533 | P530-I532 HydrophobicContact CB-CG2 4.14Å; P530-I532 HydrophobicContact CG-CG2 4Å; P530-I532 PolarHBondContact O-N 3.42Å; P530-F533 HydrophobicContact CG-CB 4.33Å; P530-F533 VanDerWaalsContact O-CB 3.32Å; P530-F533 WeakPolarHBondContact O-CB 3.49Å; P530-F533 PolarHBondContact O-N 2.91Å |
| 531 | M | 81.8 | Confident | 86.5 | Confident | 149 Ų | 149 | 95.4 Ų | 95.4 | 73% | 0.734 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -54.3 | -32.3 | 179.7 | -176.3 | 174.3 | -78.7 | 0 | 0 | 112.5 | F533 W534 L535 | M531-F533 VanDerWaalsContact C-N 3.28Å; M531-F533 PolarHBondContact O-N 2.81Å; M531-W534 PolarHBondContact O-N 2.97Å; M531-W534 VanDerWaalsContact O-N 3.15Å; M531-L535 HydrophobicContact CG-CD1 4.21Å; M531-L535 HydrophobicContact CG-CG 4.32Å; M531-L535 WeakPolarHBondContact O-CG 3.45Å; M531-L535 PolarHBondContact O-N 2.84Å |
| 532 | I | 88 | Confident | 87 | Confident | 119 Ų | 119 | 94.7 Ų | 94.7 | 61% | 0.61 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.5 | -33.6 | 177.7 | -159.3 | 151.8 | 0 | 0 | 0 | 113 | P530 W534 L535 T536 | P530-I532 HydrophobicContact CB-CG2 4.14Å; P530-I532 HydrophobicContact CG-CG2 4Å; P530-I532 PolarHBondContact O-N 3.42Å; I532-W534 VanDerWaalsContact C-N 3.35Å; I532-L535 PolarHBondContact O-N 2.65Å; I532-T536 WeakPolarHBondContact O-CG2 3.36Å; I532-T536 PolarHBondContact O-N 2.92Å; I532-T536 PolarHBondContact O-OG1 2.98Å |
| 533 | F | 89.9 | Confident | 87.4 | Confident | 85 Ų | 85 | 94.8 Ų | 94.8 | 37% | 0.373 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.5 | -42.7 | 174.9 | 174.8 | -88.4 | 0 | 0 | 0 | 111.2 | L529 P530 M531 T536 L537 | L529-F533 HydrophobicContact CB-CB 4.21Å; L529-F533 HydrophobicContact CB-CD1 3.91Å; L529-F533 HydrophobicContact CB-CG 4.1Å; L529-F533 HydrophobicContact CD1-CD1 3.74Å; L529-F533 HydrophobicContact CD1-CE1 3.57Å; L529-F533 HydrophobicContact CD1-CE2 4.43Å; L529-F533 HydrophobicContact CD1-CG 4.26Å; L529-F533 HydrophobicContact CD1-CZ 3.94Å; L529-F533 HydrophobicContact CD2-CD2 4.35Å; L529-F533 HydrophobicContact CD2-CG 4.31Å; L529-F533 HydrophobicContact CG-CD1 4.29Å; L529-F533 HydrophobicContact CG-CG 4.46Å; P530-F533 HydrophobicContact CG-CB 4.33Å; P530-F533 VanDerWaalsContact O-CB 3.32Å; P530-F533 WeakPolarHBondContact O-CB 3.49Å; P530-F533 PolarHBondContact O-N 2.91Å; M531-F533 VanDerWaalsContact C-N 3.28Å; M531-F533 PolarHBondContact O-N 2.81Å; F533-T536 PolarHBondContact O-N 2.81Å; F533-T536 PolarHBondContact O-OG1 2.78Å; F533-L537 HydrophobicContact CE1-CD2 4.31Å; F533-L537 VanDerWaalsContact O-CB 3.31Å; F533-L537 WeakPolarHBondContact O-CB 3.3Å; F533-L537 PolarHBondContact O-N 2.92Å |
| 534 | W | 89.8 | Confident | 88 | Confident | 152 Ų | 152 | 98.9 Ų | 98.9 | 58% | 0.576 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -70.1 | -34.7 | 177.4 | -63.9 | 107.7 | 0 | 0 | 0 | 112.2 | M531 I532 L537 G538 | M531-W534 PolarHBondContact O-N 2.97Å; M531-W534 VanDerWaalsContact O-N 3.15Å; I532-W534 VanDerWaalsContact C-N 3.35Å; W534-L537 HydrophobicContact CE3-CD2 3.96Å; W534-L537 HydrophobicContact CZ3-CD2 3.89Å; W534-G538 PolarHBondContact O-N 2.78Å |
| 535 | L | 93.2 | Very high | 88.7 | Confident | 109 Ų | 109 | 98.4 Ų | 98.4 | 57% | 0.571 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.7 | -45.7 | 173.6 | -70.1 | 172.9 | 0 | 0 | 0 | 111.6 | M531 I532 G538 V539 | M531-L535 HydrophobicContact CG-CD1 4.21Å; M531-L535 HydrophobicContact CG-CG 4.32Å; M531-L535 WeakPolarHBondContact O-CG 3.45Å; M531-L535 PolarHBondContact O-N 2.84Å; I532-L535 PolarHBondContact O-N 2.65Å; L535-G538 PolarHBondContact O-N 3.26Å; L535-V539 WeakPolarHBondContact O-CG2 3.47Å; L535-V539 PolarHBondContact O-N 3.09Å |
| 536 | T | 94.1 | Very high | 89.5 | Confident | 82 Ų | 82 | 95 Ų | 95 | 50% | 0.503 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.5 | -40.2 | 177.6 | 55.4 | 0 | 0 | 0 | 0 | 111.7 | I532 F533 V539 L540 | I532-T536 WeakPolarHBondContact O-CG2 3.36Å; I532-T536 PolarHBondContact O-N 2.92Å; I532-T536 PolarHBondContact O-OG1 2.98Å; F533-T536 PolarHBondContact O-N 2.81Å; F533-T536 PolarHBondContact O-OG1 2.78Å; T536-V539 PolarHBondContact O-N 2.04Å; T536-L540 WeakPolarHBondContact O-CB 3.21Å; T536-L540 PolarHBondContact O-N 2.93Å |
| 537 | L | 94.1 | Very high | 90.5 | Very high | 76 Ų | 76 | 94.1 Ų | 94.1 | 40% | 0.398 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.2 | -42.2 | 173.9 | -174.8 | 64.1 | 0 | 0 | 0 | 111.8 | F533 W534 L540 L541 | F533-L537 HydrophobicContact CE1-CD2 4.31Å; F533-L537 VanDerWaalsContact O-CB 3.31Å; F533-L537 WeakPolarHBondContact O-CB 3.3Å; F533-L537 PolarHBondContact O-N 2.92Å; W534-L537 HydrophobicContact CE3-CD2 3.96Å; W534-L537 HydrophobicContact CZ3-CD2 3.89Å; L537-L540 PolarHBondContact O-N 3.38Å; L537-L541 WeakPolarHBondContact O-CB 3.43Å; L537-L541 PolarHBondContact O-N 3.39Å |
| 538 | G | 94.9 | Very high | 91.2 | Very high | 36 Ų | 36 | 96.8 Ų | 96.8 | 37% | 0.371 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.6 | -44.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | W534 L535 L541 V542 | W534-G538 PolarHBondContact O-N 2.78Å; L535-G538 PolarHBondContact O-N 3.26Å; G538-L541 PolarHBondContact O-N 3.5Å; G538-V542 WeakPolarHBondContact O-CG2 3.31Å; G538-V542 PolarHBondContact O-N 3.05Å |
| 539 | V | 95.7 | Very high | 92.1 | Very high | 86 Ų | 86 | 100 Ų | 100 | 52% | 0.521 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.2 | -45 | 175.4 | 170.3 | 0 | 0 | 0 | 0 | 111.2 | L535 T536 L541 V542 I543 | L535-V539 WeakPolarHBondContact O-CG2 3.47Å; L535-V539 PolarHBondContact O-N 3.09Å; T536-V539 PolarHBondContact O-N 2.04Å; V539-L541 VanDerWaalsContact C-N 3.29Å; V539-L541 PolarHBondContact O-N 3.27Å; V539-V542 PolarHBondContact O-N 2.87Å; V539-I543 HydrophobicContact CG1-CD1 3.77Å; V539-I543 HydrophobicContact CG1-CG1 4.39Å; V539-I543 WeakPolarHBondContact O-CG1 3.27Å; V539-I543 PolarHBondContact O-N 2.83Å |
| 540 | L | 96.2 | Very high | 92.6 | Very high | 114 Ų | 114 | 101.6 Ų | 101.6 | 60% | 0.597 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -59.9 | -41.6 | 177.2 | -177.1 | 65.5 | 0 | 0 | 0 | 111.3 | T536 L537 I543 F544 | T536-L540 WeakPolarHBondContact O-CB 3.21Å; T536-L540 PolarHBondContact O-N 2.93Å; L537-L540 PolarHBondContact O-N 3.38Å; L540-I543 PolarHBondContact O-N 3.19Å; L540-F544 WeakPolarHBondContact O-CB 3.39Å; L540-F544 PolarHBondContact O-N 2.67Å |
| 541 | L | 95.7 | Very high | 93.1 | Very high | 98 Ų | 98 | 102.7 Ų | 102.7 | 51% | 0.513 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.4 | -44.6 | 176.6 | -167.7 | 152.9 | 0 | 0 | 0 | 111 | L537 G538 V539 F544 H545 | L537-L541 WeakPolarHBondContact O-CB 3.43Å; L537-L541 PolarHBondContact O-N 3.39Å; G538-L541 PolarHBondContact O-N 3.5Å; V539-L541 VanDerWaalsContact C-N 3.29Å; V539-L541 PolarHBondContact O-N 3.27Å; L541-F544 WeakPolarHBondContact O-CB 3.47Å; L541-F544 PolarHBondContact O-N 3.1Å; L541-H545 WeakPolarHBondContact CD2-CE1 3.46Å; L541-H545 WeakPolarHBondContact CD2-ND1 3.42Å; L541-H545 PolarHBondContact O-N 2.82Å; L541-H545 PolarHBondContact O-ND1 3.14Å |
| 542 | V | 95.8 | Very high | 93.4 | Very high | 86 Ų | 86 | 100.4 Ų | 100.4 | 52% | 0.521 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.5 | -46.4 | 175.5 | 172.2 | 0 | 0 | 0 | 0 | 111.5 | G538 V539 F544 H545 L546 | G538-V542 WeakPolarHBondContact O-CG2 3.31Å; G538-V542 PolarHBondContact O-N 3.05Å; V539-V542 PolarHBondContact O-N 2.87Å; V542-F544 VanDerWaalsContact C-N 3.31Å; V542-F544 PolarHBondContact O-N 3.01Å; V542-H545 PolarHBondContact O-N 2.93Å; V542-L546 HydrophobicContact CG1-CD1 4.06Å; V542-L546 HydrophobicContact CG1-CG 4.37Å; V542-L546 WeakPolarHBondContact O-CG 3.31Å; V542-L546 PolarHBondContact O-N 3.07Å |
| 543 | I | 95.8 | Very high | 93.4 | Very high | 97 Ų | 97 | 100.7 Ų | 100.7 | 50% | 0.497 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.6 | -44 | 177.6 | -68.9 | 168.9 | 0 | 0 | 0 | 110.9 | V539 L540 H545 L546 F547 | V539-I543 HydrophobicContact CG1-CD1 3.77Å; V539-I543 HydrophobicContact CG1-CG1 4.39Å; V539-I543 WeakPolarHBondContact O-CG1 3.27Å; V539-I543 PolarHBondContact O-N 2.83Å; L540-I543 PolarHBondContact O-N 3.19Å; I543-H545 VanDerWaalsContact C-N 3.35Å; I543-H545 PolarHBondContact O-N 3.19Å; I543-L546 PolarHBondContact O-N 2.81Å; I543-F547 PolarHBondContact O-N 2.92Å |
| 544 | F | 96.2 | Very high | 93.3 | Very high | 118 Ų | 118 | 101 Ų | 101 | 52% | 0.518 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.8 | -45.4 | 176.6 | 176.4 | -101.3 | 0 | 0 | 0 | 111.8 | L540 L541 V542 F547 L548 | L540-F544 WeakPolarHBondContact O-CB 3.39Å; L540-F544 PolarHBondContact O-N 2.67Å; L541-F544 WeakPolarHBondContact O-CB 3.47Å; L541-F544 PolarHBondContact O-N 3.1Å; V542-F544 VanDerWaalsContact C-N 3.31Å; V542-F544 PolarHBondContact O-N 3.01Å; F544-F547 PolarHBondContact O-N 3.49Å; F544-L548 HydrophobicContact CD1-CD1 4.36Å; F544-L548 HydrophobicContact CE1-CD1 3.61Å; F544-L548 HydrophobicContact CZ-CD1 3.74Å; F544-L548 PolarHBondContact O-N 3.32Å |
| 545 | H | 95.1 | Very high | 93 | Very high | 97 Ų | 97 | 100.2 Ų | 100.2 | 45% | 0.449 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.1 | -37.1 | 177.7 | -72.8 | 73.3 | 0 | 0 | 0 | 112.4 | L541 V542 I543 F547 L548 L549 | L541-H545 WeakPolarHBondContact CD2-CE1 3.46Å; L541-H545 WeakPolarHBondContact CD2-ND1 3.42Å; L541-H545 PolarHBondContact O-N 2.82Å; L541-H545 PolarHBondContact O-ND1 3.14Å; V542-H545 PolarHBondContact O-N 2.93Å; I543-H545 VanDerWaalsContact C-N 3.35Å; I543-H545 PolarHBondContact O-N 3.19Å; H545-F547 VanDerWaalsContact C-N 3.35Å; H545-L548 PolarHBondContact O-N 2.77Å; H545-L549 WeakPolarHBondContact O-CB 3.13Å; H545-L549 WeakPolarHBondContact O-CG 3.4Å; H545-L549 PolarHBondContact O-N 3.37Å |
| 546 | L | 94.8 | Very high | 92.5 | Very high | 105 Ų | 105 | 104.5 Ų | 104.5 | 55% | 0.55 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.1 | -39.4 | 173.5 | -69.9 | 174.1 | 0 | 0 | 0 | 111.9 | V542 I543 L549 K550 | V542-L546 HydrophobicContact CG1-CD1 4.06Å; V542-L546 HydrophobicContact CG1-CG 4.37Å; V542-L546 WeakPolarHBondContact O-CG 3.31Å; V542-L546 PolarHBondContact O-N 3.07Å; I543-L546 PolarHBondContact O-N 2.81Å; L546-L549 PolarHBondContact O-N 3.21Å; L546-K550 WeakPolarHBondContact O-CB 3.32Å; L546-K550 PolarHBondContact O-N 2.69Å |
| 547 | F | 95 | Very high | 91.7 | Very high | 132 Ų | 132 | 106.9 Ų | 106.9 | 58% | 0.579 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.6 | -43.1 | 174.7 | -174.6 | -96.1 | 0 | 0 | 0 | 111.7 | I543 F544 H545 K550 L551 | I543-F547 PolarHBondContact O-N 2.92Å; F544-F547 PolarHBondContact O-N 3.49Å; H545-F547 VanDerWaalsContact C-N 3.35Å; F547-K550 WeakPolarHBondContact O-CB 3.41Å; F547-K550 PolarHBondContact O-N 2.82Å; F547-L551 HydrophobicContact CE1-CD1 4.18Å; F547-L551 PolarHBondContact O-N 2.97Å |
| 548 | L | 92.6 | Very high | 90.2 | Very high | 74 Ų | 74 | 105.3 Ų | 105.3 | 39% | 0.387 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.4 | -46.1 | 176 | -127.1 | 159.8 | 0 | 0 | 0 | 111.6 | F544 H545 K550 L551 I552 | F544-L548 HydrophobicContact CD1-CD1 4.36Å; F544-L548 HydrophobicContact CE1-CD1 3.61Å; F544-L548 HydrophobicContact CZ-CD1 3.74Å; F544-L548 PolarHBondContact O-N 3.32Å; H545-L548 PolarHBondContact O-N 2.77Å; L548-K550 VanDerWaalsContact C-N 3.33Å; L548-K550 PolarHBondContact O-N 2.84Å; L548-L551 PolarHBondContact O-N 3.19Å; L548-I552 HydrophobicContact CD2-CD1 3.74Å; L548-I552 HydrophobicContact CD2-CG1 4.26Å; L548-I552 VanDerWaalsContact O-CG1 3.32Å; L548-I552 WeakPolarHBondContact O-CG1 3.01Å; L548-I552 PolarHBondContact O-N 3.04Å |
| 549 | L | 93.8 | Very high | 88.2 | Confident | 111 Ų | 111 | 106.1 Ų | 106.1 | 58% | 0.581 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -58.8 | -43.1 | 173.7 | -85.4 | 164 | 0 | 0 | 0 | 111.7 | H545 L546 I552 Y553 | H545-L549 WeakPolarHBondContact O-CB 3.13Å; H545-L549 WeakPolarHBondContact O-CG 3.4Å; H545-L549 PolarHBondContact O-N 3.37Å; L546-L549 PolarHBondContact O-N 3.21Å; L549-I552 PolarHBondContact O-N 3.39Å; L549-Y553 WeakPolarHBondContact O-CB 3.37Å; L549-Y553 PolarHBondContact O-N 3Å |
| 550 | K | 91.6 | Very high | 86.1 | Confident | 131 Ų | 131 | 105.7 Ų | 105.7 | 57% | 0.57 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -62.6 | -42.3 | 176.2 | -177.1 | 179.6 | 179.1 | -179.2 | 0 | 111.8 | L546 F547 L548 Y553 N554 | L546-K550 WeakPolarHBondContact O-CB 3.32Å; L546-K550 PolarHBondContact O-N 2.69Å; F547-K550 WeakPolarHBondContact O-CB 3.41Å; F547-K550 PolarHBondContact O-N 2.82Å; L548-K550 VanDerWaalsContact C-N 3.33Å; L548-K550 PolarHBondContact O-N 2.84Å; K550-Y553 PolarHBondContact O-N 2.81Å; K550-N554 WeakPolarHBondContact O-CB 3.35Å; K550-N554 PolarHBondContact O-N 2.9Å |
| 551 | L | 90.1 | Very high | 83.9 | Confident | 100 Ų | 100 | 103.7 Ų | 103.7 | 52% | 0.524 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -66 | -46.7 | 178.9 | -162.2 | 155.8 | 0 | 0 | 0 | 111 | F547 L548 Y553 N554 E555 | F547-L551 HydrophobicContact CE1-CD1 4.18Å; F547-L551 PolarHBondContact O-N 2.97Å; L548-L551 PolarHBondContact O-N 3.19Å; L551-Y553 VanDerWaalsContact C-N 3.34Å; L551-Y553 PolarHBondContact O-N 3.27Å; L551-N554 PolarHBondContact O-N 2.86Å; L551-E555 PolarHBondContact O-N 3.4Å |
| 552 | I | 88.8 | Confident | 81.4 | Confident | 100 Ų | 100 | 101.8 Ų | 101.8 | 51% | 0.513 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -60.1 | -44.3 | 175.3 | -67.7 | 164.2 | 0 | 0 | 0 | 111 | L548 L549 N554 E555 Y556 | L548-I552 HydrophobicContact CD2-CD1 3.74Å; L548-I552 HydrophobicContact CD2-CG1 4.26Å; L548-I552 VanDerWaalsContact O-CG1 3.32Å; L548-I552 WeakPolarHBondContact O-CG1 3.01Å; L548-I552 PolarHBondContact O-N 3.04Å; L549-I552 PolarHBondContact O-N 3.39Å; I552-N554 VanDerWaalsContact C-N 3.34Å; I552-N554 PolarHBondContact O-N 3.14Å; I552-E555 PolarHBondContact O-N 3.35Å; I552-Y556 VanDerWaalsContact O-CB 3.3Å; I552-Y556 WeakPolarHBondContact O-CB 3.14Å; I552-Y556 PolarHBondContact O-N 2.93Å |
| 553 | Y | 88 | Confident | 78.9 | Confident | 126 Ų | 126 | 109.1 Ų | 109.1 | 49% | 0.494 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -62.7 | -41.8 | 177.5 | -179.1 | -100.5 | 0 | 0 | 0 | 112.3 | L549 K550 L551 Y556 K557 | L549-Y553 WeakPolarHBondContact O-CB 3.37Å; L549-Y553 PolarHBondContact O-N 3Å; K550-Y553 PolarHBondContact O-N 2.81Å; L551-Y553 VanDerWaalsContact C-N 3.34Å; L551-Y553 PolarHBondContact O-N 3.27Å; Y553-Y556 PolarHBondContact O-N 3.27Å; Y553-K557 HydrophobicContact CD1-CD 4.21Å; Y553-K557 HydrophobicContact CE1-CD 3.55Å; Y553-K557 HydrophobicContact CE1-CG 4.38Å; Y553-K557 HydrophobicContact CE2-CD 4.14Å; Y553-K557 WeakPolarHBondContact O-CB 3.29Å; Y553-K557 PolarHBondContact O-N 3.04Å; Y553-K557 WeakPolarHBondContact OH-CE 2.72Å; Y553-K557 PolarHBondContact OH-NZ 3.19Å |
| 554 | N | 87.8 | Confident | 76.5 | Confident | 90 Ų | 90 | 113.8 Ų | 113.8 | 48% | 0.481 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -66.7 | -37.6 | 176.7 | -76.1 | -6.7 | 0 | 0 | 0 | 112 | K550 L551 I552 G558 | K550-N554 WeakPolarHBondContact O-CB 3.35Å; K550-N554 PolarHBondContact O-N 2.9Å; L551-N554 PolarHBondContact O-N 2.86Å; I552-N554 VanDerWaalsContact C-N 3.34Å; I552-N554 PolarHBondContact O-N 3.14Å; N554-G558 VanDerWaalsContact O-CA 3.27Å; N554-G558 WeakPolarHBondContact O-CA 2.84Å; N554-G558 PolarHBondContact O-N 2.77Å |
| 555 | E | 84.1 | Confident | 74.2 | Confident | 137 Ų | 137 | 112 Ų | 112 | 64% | 0.64 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -70.3 | -40.7 | 174 | -171.8 | 62.9 | -162.8 | 0 | 0 | 111.3 | L551 I552 K557 G558 G559 | L551-E555 PolarHBondContact O-N 3.4Å; I552-E555 PolarHBondContact O-N 3.35Å; E555-K557 PolarHBondContact O-N 2.6Å; E555-G558 PolarHBondContact O-N 3.07Å; E555-G559 WeakPolarHBondContact O-CA 3.09Å; E555-G559 PolarHBondContact O-N 3.09Å |
| 556 | Y | 82.3 | Confident | 71.7 | Confident | 199 Ų | 199 | 118.3 Ų | 118.3 | 78% | 0.78 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -63.8 | -41.2 | 176.9 | -176.6 | -100.7 | 0 | 0 | 0 | 112.1 | I552 Y553 | I552-Y556 VanDerWaalsContact O-CB 3.3Å; I552-Y556 WeakPolarHBondContact O-CB 3.14Å; I552-Y556 PolarHBondContact O-N 2.93Å; Y553-Y556 PolarHBondContact O-N 3.27Å |
| 557 | K | 76.4 | Confident | 69.4 | Low | 132 Ų | 132 | 118.8 Ų | 118.8 | 57% | 0.574 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -78.2 | -37.7 | 175 | -77.1 | -165.4 | 164.9 | -172.2 | 0 | 113.2 | Y553 E555 G559 G560 | Y553-K557 HydrophobicContact CD1-CD 4.21Å; Y553-K557 HydrophobicContact CE1-CD 3.55Å; Y553-K557 HydrophobicContact CE1-CG 4.38Å; Y553-K557 HydrophobicContact CE2-CD 4.14Å; Y553-K557 WeakPolarHBondContact O-CB 3.29Å; Y553-K557 PolarHBondContact O-N 3.04Å; Y553-K557 WeakPolarHBondContact OH-CE 2.72Å; Y553-K557 PolarHBondContact OH-NZ 3.19Å; E555-K557 PolarHBondContact O-N 2.6Å; K557-G559 VanDerWaalsContact C-N 3.31Å; K557-G560 PolarHBondContact O-N 3.12Å |
| 558 | G | 63 | Low | 66.8 | Low | 43 Ų | 43 | 116.9 Ų | 116.9 | 44% | 0.443 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -72.3 | -24.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | N554 E555 G560 G561 | N554-G558 VanDerWaalsContact O-CA 3.27Å; N554-G558 WeakPolarHBondContact O-CA 2.84Å; N554-G558 PolarHBondContact O-N 2.77Å; E555-G558 PolarHBondContact O-N 3.07Å; G558-G560 PolarHBondContact O-N 2.74Å; G558-G560 VanDerWaalsContact O-N 3.13Å; G558-G561 PolarHBondContact O-N 3.31Å |
| 559 | G | 52.8 | Low | 64.5 | Low | 52 Ų | 52 | 123.1 Ų | 123.1 | 54% | 0.536 | 67% | 0.665 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.4 | -11.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | E555 K557 | E555-G559 WeakPolarHBondContact O-CA 3.09Å; E555-G559 PolarHBondContact O-N 3.09Å; K557-G559 VanDerWaalsContact C-N 3.31Å |
| 560 | G | 51.2 | Low | 62.1 | Low | 77 Ų | 77 | 125.9 Ų | 125.9 | 79% | 0.794 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | -16.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | K557 G558 | K557-G560 PolarHBondContact O-N 3.12Å; G558-G560 PolarHBondContact O-N 2.74Å; G558-G560 VanDerWaalsContact O-N 3.13Å |
| 561 | G | 51.1 | Low | 60.1 | Low | 72 Ų | 72 | 130.5 Ų | 130.5 | 74% | 0.742 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.4 | -6.9 | -169.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | G558 | G558-G561 PolarHBondContact O-N 3.31Š|
| 562 | G | 44.1 | Very low | 57.6 | Low | 59 Ų | 59 | 131.9 Ų | 131.9 | 61% | 0.608 | 71% | 0.705 | S | S | * | * | trans | -115.5 | 5.3 | -163.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | K564 | G562-K564 PolarHBondContact O-N 2.69Š| ||
| 563 | R | 41.6 | Very low | 55.5 | Low | 240 Ų | 240 | 131.4 Ų | 131.4 | 91% | 0.906 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -79.1 | 31.4 | 175.6 | -146.7 | 174 | -177.4 | 157.3 | 0.2 | 113.3 | ||
| 564 | K | 46.1 | Very low | 53.3 | Low | 195 Ų | 195 | 135.1 Ų | 135.1 | 85% | 0.848 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -139.9 | 56.4 | 177.6 | -71.1 | -169.5 | 178.8 | 179.9 | 0 | 113.4 | G562 | G562-K564 PolarHBondContact O-N 2.69Š|
| 565 | A | 46.8 | Very low | 51 | Low | 79 Ų | 79 | 146.3 Ų | 146.3 | 65% | 0.653 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -138 | -14.4 | 159.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 566 | Y | 42.7 | Very low | 49.3 | Very low | 230 Ų | 230 | 146.8 Ų | 146.8 | 90% | 0.902 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -98.9 | -0.9 | 176.1 | -78 | -78.4 | 0 | 0 | 0 | 115.6 | ||
| 567 | T | 48 | Very low | 47.6 | Very low | 116 Ų | 116 | 144.1 Ų | 144.1 | 71% | 0.712 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -112.2 | 4 | 176.7 | 45.7 | 0 | 0 | 0 | 0 | 115.2 | ||
| 568 | A | 40.9 | Very low | 46 | Very low | 91 Ų | 91 | 144.7 Ų | 144.7 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -94.8 | 2.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 569 | F | 43.1 | Very low | 45 | Very low | 206 Ų | 206 | 150.7 Ų | 150.7 | 90% | 0.904 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -94.7 | 17.9 | 175 | -134.7 | -87.9 | 0 | 0 | 0 | 114.3 | ||
| 570 | K | 43.2 | Very low | 44.5 | Very low | 168 Ų | 168 | 156.9 Ų | 156.9 | 73% | 0.73 | 83% | 0.825 | S | S | * | * | S | Bend | trans | -125.9 | 132.5 | 166.6 | -101.7 | 178.8 | 173.6 | 177 | 0 | 108.2 | ||
| 571 | Y | 49.4 | Very low | 44 | Very low | 229 Ų | 229 | 162.2 Ų | 162.2 | 90% | 0.898 | 83% | 0.827 | S | S | * | * | S | Bend | trans | 92.7 | 50.3 | -177.4 | -49.1 | -74.3 | 0 | 0 | 0 | 117 | ||
| 572 | S | 38.9 | Very low | 43.5 | Very low | 128 Ų | 128 | 168.6 Ų | 168.6 | 90% | 0.895 | 83% | 0.833 | S | S | * | * | trans | -150.3 | 75.2 | 135.1 | -168.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 573 | A | 44.4 | Very low | 43.5 | Very low | 90 Ų | 90 | 177.1 Ų | 177.1 | 74% | 0.744 | 85% | 0.851 | S | S | * | * | S | Bend | trans | -143.2 | 117.5 | 161.5 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||
| 574 | K | 42.1 | Very low | 43.6 | Very low | 204 Ų | 204 | 171.8 Ų | 171.8 | 89% | 0.887 | 85% | 0.846 | S | S | * | * | trans | 80.5 | 88.2 | 170.9 | -54.4 | -176.6 | 178.2 | -175.9 | 0 | 116.8 | ||||
| 575 | R | 38.3 | Very low | 43.4 | Very low | 326 Ų | 326 | 169.7 Ų | 169.7 | 100% | 1.23 | 85% | 0.846 | S | S | * | * | -100.3 | 0 | 109.1 | -97.1 | -173.1 | -176 | -179.2 | 1.9 | 108 |
Retrieved 575 of 575 residues in 413.9 ms
(Link to these results)