| 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 | 33.9 | Very low | 71.9 | Confident | 226 Ų | 226 | 100.9 Ų | 100.9 | 100% | 1.113 | 53% | 0.533 | S | S | * | . | 0 | 115.5 | 0 | -88.8 | -179.3 | -87 | 0 | 0 | 105.9 | T3 | M1-T3 PolarHBondContact O-N 2.7Å; M1-T3 VanDerWaalsContact O-N 3.16Å | |||
| 2 | A | 43 | Very low | 73.5 | Confident | 90 Ų | 90 | 100.7 Ų | 100.7 | 74% | 0.744 | 53% | 0.527 | S | S | * | . | trans | -64.7 | 115.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | E4 | A2-E4 PolarHBondContact O-N 3.33Š| ||
| 3 | T | 53.3 | Low | 74.8 | Confident | 91 Ų | 91 | 98.6 Ų | 98.6 | 56% | 0.558 | 51% | 0.511 | S | S | * | . | trans | -66.4 | 115.6 | 175.4 | -11.9 | 0 | 0 | 0 | 0 | 107.2 | M1 T5 I103 | M1-T3 PolarHBondContact O-N 2.7Å; M1-T3 VanDerWaalsContact O-N 3.16Å; T3-T5 PolarHBondContact O-N 3.15Å; T3-I103 PolarHBondContact OG1-O 3.43Å; T3-I103 VanDerWaalsContact OG1-O 3.07Å | ||
| 4 | E | 57.4 | Low | 76.1 | Confident | 190 Ų | 190 | 91.6 Ų | 91.6 | 89% | 0.888 | 48% | 0.475 | S | S | * | . | trans | -58.2 | 112.9 | 174.3 | -138.2 | 175.3 | -163.4 | 0 | 0 | 107.2 | A2 K6 | A2-E4 PolarHBondContact O-N 3.33Å; E4-K6 PolarHBondContact O-N 3.38Å | ||
| 5 | T | 72.6 | Confident | 77.1 | Confident | 52 Ų | 52 | 91.5 Ų | 91.5 | 32% | 0.319 | 47% | 0.466 | S | S | . | . | trans | -72.7 | 109.2 | -175.7 | -55.4 | 0 | 0 | 0 | 0 | 108.1 | T3 L7 A104 A105 T106 | T3-T5 PolarHBondContact O-N 3.15Å; T5-L7 PolarHBondContact O-N 3.07Å; T5-A104 HydrophobicContact CG2-CB 4.45Å; T5-A104 VanDerWaalsContact OG1-CA 3.32Å; T5-A104 WeakPolarHBondContact OG1-CA 3.37Å; T5-A105 WeakPolarHBondContact CG2-O 3.29Å; T5-A105 PolarHBondContact OG1-N 2.97Å; T5-T106 HydrophobicContact CG2-CG2 3.82Å | ||
| 6 | K | 82.7 | Confident | 77.9 | Confident | 179 Ų | 179 | 86.7 Ų | 86.7 | 78% | 0.778 | 44% | 0.444 | S | S | * | . | P | Polyproline II helix | trans | -75 | 123.7 | 176.6 | -171.8 | 178.9 | 179.8 | -179.1 | 0 | 109.3 | E4 | E4-K6 PolarHBondContact O-N 3.38Š|
| 7 | L | 88.3 | Confident | 78.8 | Confident | 29 Ų | 29 | 81.6 Ų | 81.6 | 15% | 0.152 | 42% | 0.418 | C | S | . | . | P | Polyproline II helix | trans | -69 | 147.4 | 172 | -64.9 | 178.9 | 0 | 0 | 0 | 110.3 | T5 E11 E12 R15 T106 F170 | T5-L7 PolarHBondContact O-N 3.07Å; L7-E11 HydrophobicContact CB-CB 3.92Å; L7-E11 HydrophobicContact CD1-CB 4.46Å; L7-E11 HydrophobicContact CD2-CB 4.07Å; L7-E11 HydrophobicContact CG-CB 4.37Å; L7-E12 HydrophobicContact CB-CG 3.88Å; L7-E12 HydrophobicContact CD1-CG 4.5Å; L7-R15 HydrophobicContact CD1-CG 4.36Å; L7-T106 HydrophobicContact CD2-CG2 4.19Å; L7-F170 HydrophobicContact CD2-CE1 4.34Å |
| 8 | S | 89.5 | Confident | 79.5 | Confident | 47 Ų | 47 | 77.6 Ų | 77.6 | 33% | 0.329 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -66 | 158.4 | 164.5 | 65 | 0 | 0 | 0 | 0 | 110.4 | M10 E11 E12 | S8-M10 PolarHBondContact O-N 2.89Å; S8-E11 WeakPolarHBondContact CB-OE2 3.48Å; S8-E11 PolarHBondContact N-OE2 2.97Å; S8-E11 WeakPolarHBondContact O-CB 3.26Å; S8-E11 PolarHBondContact O-N 3.34Å; S8-E11 VanDerWaalsContact OG-CD 3.31Å; S8-E11 VanDerWaalsContact OG-CG 3.31Å; S8-E11 WeakPolarHBondContact OG-CG 3.29Å; S8-E11 PolarHBondContact OG-N 3.04Å; S8-E11 PolarHBondContact OG-OE2 3.13Å; S8-E12 WeakPolarHBondContact O-CG 3.44Å; S8-E12 PolarHBondContact O-N 3.11Å |
| 9 | Q | 87.5 | Confident | 80.1 | Confident | 139 Ų | 139 | 76 Ų | 76 | 65% | 0.65 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -56.8 | -35.4 | 176.7 | -168.8 | 179.4 | 42.7 | 0 | 0 | 112.2 | E12 F13 | Q9-E12 PolarHBondContact O-N 2.91Å; Q9-F13 HydrophobicContact CG-CD2 4.11Å; Q9-F13 HydrophobicContact CG-CE2 3.57Å; Q9-F13 HydrophobicContact CG-CZ 4.15Å; Q9-F13 WeakPolarHBondContact O-CD2 3.1Å; Q9-F13 WeakPolarHBondContact O-CG 3.49Å; Q9-F13 PolarHBondContact O-N 2.73Å |
| 10 | M | 90 | Very high | 80.6 | Confident | 67 Ų | 67 | 72.9 Ų | 72.9 | 33% | 0.33 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.5 | -44.1 | 175.6 | -176 | -179.5 | -72.1 | 0 | 0 | 111.6 | S8 E12 F13 I14 F71 L73 P169 | S8-M10 PolarHBondContact O-N 2.89Å; M10-E12 VanDerWaalsContact C-N 3.33Å; M10-E12 PolarHBondContact O-N 3.28Å; M10-F13 PolarHBondContact O-N 3.49Å; M10-I14 HydrophobicContact CG-CD1 4.04Å; M10-I14 VanDerWaalsContact O-CG1 3.29Å; M10-I14 WeakPolarHBondContact O-CG1 3.18Å; M10-I14 PolarHBondContact O-N 3.12Å; M10-F71 HydrophobicContact CE-CB 4.5Å; M10-F71 HydrophobicContact CE-CD1 3.99Å; M10-F71 HydrophobicContact CG-CD1 4.24Å; M10-L73 HydrophobicContact SD-CD2 4.04Å; M10-P169 HydrophobicContact CG-CG 4Å; M10-P169 HydrophobicContact SD-CG 3.48Å; M10-P169 WeakPolarHBondContact SD-CG 3.32Å |
| 11 | E | 93 | Very high | 81 | Confident | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65.2 | -36.8 | 176.2 | -73.8 | 163.4 | 140.4 | 0 | 0 | 112.2 | L7 S8 I14 R15 T106 H167 P169 F170 | L7-E11 HydrophobicContact CB-CB 3.92Å; L7-E11 HydrophobicContact CD1-CB 4.46Å; L7-E11 HydrophobicContact CD2-CB 4.07Å; L7-E11 HydrophobicContact CG-CB 4.37Å; S8-E11 WeakPolarHBondContact CB-OE2 3.48Å; S8-E11 PolarHBondContact N-OE2 2.97Å; S8-E11 WeakPolarHBondContact O-CB 3.26Å; S8-E11 PolarHBondContact O-N 3.34Å; S8-E11 VanDerWaalsContact OG-CD 3.31Å; S8-E11 VanDerWaalsContact OG-CG 3.31Å; S8-E11 WeakPolarHBondContact OG-CG 3.29Å; S8-E11 PolarHBondContact OG-N 3.04Å; S8-E11 PolarHBondContact OG-OE2 3.13Å; E11-I14 PolarHBondContact O-N 2.95Å; E11-R15 WeakPolarHBondContact O-CB 3.32Å; E11-R15 WeakPolarHBondContact O-CG 3.48Å; E11-R15 PolarHBondContact O-N 2.69Å; E11-T106 WeakPolarHBondContact OE1-CB 3.47Å; E11-T106 WeakPolarHBondContact OE1-CG2 3.14Å; E11-T106 PolarHBondContact OE1-OG1 3.43Å; E11-T106 VanDerWaalsContact OE1-OG1 3.14Å; E11-H167 IonicContact OE1-CE1 3.57Å; E11-H167 PolarHBondContact OE1-CE1 3.44Å; E11-H167 VanDerWaalsContact OE1-CE1 3.26Å; E11-H167 IonicContact OE1-ND1 2.75Å; E11-H167 IonicContact OE2-CE1 3.27Å; E11-P169 HydrophobicContact CG-CB 3.68Å; E11-P169 HydrophobicContact CG-CG 4.48Å; E11-F170 HydrophobicContact CB-CD1 4.4Å; E11-F170 HydrophobicContact CB-CE1 3.66Å; E11-F170 HydrophobicContact CB-CZ 3.75Å; E11-F170 HydrophobicContact CG-CD1 4.04Å; E11-F170 HydrophobicContact CG-CE1 3.76Å; E11-F170 HydrophobicContact CG-CE2 4.27Å; E11-F170 HydrophobicContact CG-CG 4.43Å; E11-F170 HydrophobicContact CG-CZ 3.9Å; E11-F170 WeakPolarHBondContact O-CZ 3.37Å; E11-F170 PolarHBondContact OE1-N 3.33Å |
| 12 | E | 90.9 | Very high | 83.2 | Confident | 98 Ų | 98 | 62.6 Ų | 62.6 | 46% | 0.458 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.7 | -45.4 | 172.5 | -69.2 | 175.7 | 169.6 | 0 | 0 | 111.1 | L7 S8 Q9 M10 R15 A16 | L7-E12 HydrophobicContact CB-CG 3.88Å; L7-E12 HydrophobicContact CD1-CG 4.5Å; S8-E12 WeakPolarHBondContact O-CG 3.44Å; S8-E12 PolarHBondContact O-N 3.11Å; Q9-E12 PolarHBondContact O-N 2.91Å; M10-E12 VanDerWaalsContact C-N 3.33Å; M10-E12 PolarHBondContact O-N 3.28Å; E12-R15 PolarHBondContact O-N 3.19Å; E12-A16 WeakPolarHBondContact O-CB 3.4Å; E12-A16 PolarHBondContact O-N 3.49Å |
| 13 | F | 90.1 | Very high | 85.2 | Confident | 74 Ų | 74 | 63 Ų | 63 | 33% | 0.325 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.4 | -41.4 | 175.9 | -72 | -48.6 | 0 | 0 | 0 | 113 | Q9 M10 R15 A16 F17 F67 F71 | Q9-F13 HydrophobicContact CG-CD2 4.11Å; Q9-F13 HydrophobicContact CG-CE2 3.57Å; Q9-F13 HydrophobicContact CG-CZ 4.15Å; Q9-F13 WeakPolarHBondContact O-CD2 3.1Å; Q9-F13 WeakPolarHBondContact O-CG 3.49Å; Q9-F13 PolarHBondContact O-N 2.73Å; M10-F13 PolarHBondContact O-N 3.49Å; F13-R15 VanDerWaalsContact C-N 3.35Å; F13-A16 PolarHBondContact O-N 2.95Å; F13-F17 WeakPolarHBondContact O-CB 3.33Å; F13-F17 PolarHBondContact O-N 3.48Å; F13-F67 HydrophobicContact CB-CZ 4.29Å; F13-F71 HydrophobicContact CB-CE2 4.43Å; F13-F71 HydrophobicContact CB-CZ 4.06Å; F13-F71 HydrophobicContact CD2-CE1 4.18Å; F13-F71 AromaticContact CD2-CZ 3.79Å; F13-F71 HydrophobicContact CD2-CZ 3.79Å; F13-F71 HydrophobicContact CG-CZ 4.15Å |
| 14 | I | 93.2 | Very high | 86.7 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.9 | -44.8 | 176.5 | -63.1 | 158.6 | 0 | 0 | 0 | 110 | M10 E11 A16 F17 L18 F67 L73 I78 P169 F170 | M10-I14 HydrophobicContact CG-CD1 4.04Å; M10-I14 VanDerWaalsContact O-CG1 3.29Å; M10-I14 WeakPolarHBondContact O-CG1 3.18Å; M10-I14 PolarHBondContact O-N 3.12Å; E11-I14 PolarHBondContact O-N 2.95Å; I14-A16 VanDerWaalsContact C-N 3.34Å; I14-A16 PolarHBondContact O-N 3.06Å; I14-F17 PolarHBondContact O-N 3.4Å; I14-L18 HydrophobicContact CG2-CD1 3.88Å; I14-L18 HydrophobicContact CG2-CG 4.29Å; I14-L18 VanDerWaalsContact O-CG 3.29Å; I14-L18 WeakPolarHBondContact O-CG 3.34Å; I14-L18 PolarHBondContact O-N 3.15Å; I14-F67 HydrophobicContact CB-CE1 4.47Å; I14-F67 HydrophobicContact CG1-CE1 3.89Å; I14-F67 HydrophobicContact CG1-CZ 4.13Å; I14-L73 HydrophobicContact CD1-CD1 3.7Å; I14-L73 HydrophobicContact CD1-CD2 4.44Å; I14-L73 HydrophobicContact CG1-CD1 3.82Å; I14-I78 HydrophobicContact CD1-CD1 4.12Å; I14-I78 HydrophobicContact CG1-CD1 4.26Å; I14-I78 HydrophobicContact CG2-CD1 3.85Å; I14-I78 HydrophobicContact CG2-CG2 4.36Å; I14-P169 HydrophobicContact CD1-CB 3.54Å; I14-P169 HydrophobicContact CD1-CG 3.73Å; I14-F170 HydrophobicContact CB-CE2 3.78Å; I14-F170 HydrophobicContact CB-CZ 3.93Å; I14-F170 HydrophobicContact CD1-CE2 3.77Å; I14-F170 HydrophobicContact CD1-CZ 4.43Å; I14-F170 HydrophobicContact CG1-CE2 4.39Å; I14-F170 HydrophobicContact CG2-CE2 3.56Å; I14-F170 HydrophobicContact CG2-CZ 4.02Å |
| 15 | R | 91.2 | Very high | 88.3 | Confident | 90 Ų | 90 | 56.2 Ų | 56.2 | 34% | 0.34 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.4 | -40.5 | 177 | -76.9 | -163.5 | -180 | -173.2 | -1.1 | 112.4 | L7 E11 E12 F13 L18 E19 F170 | L7-R15 HydrophobicContact CD1-CG 4.36Å; E11-R15 WeakPolarHBondContact O-CB 3.32Å; E11-R15 WeakPolarHBondContact O-CG 3.48Å; E11-R15 PolarHBondContact O-N 2.69Å; E12-R15 PolarHBondContact O-N 3.19Å; F13-R15 VanDerWaalsContact C-N 3.35Å; R15-L18 PolarHBondContact O-N 2.92Å; R15-E19 WeakPolarHBondContact O-CB 3.32Å; R15-E19 PolarHBondContact O-N 3.39Å; R15-F170 HydrophobicContact CG-CE1 3.94Å; R15-F170 HydrophobicContact CG-CZ 3.86Å |
| 16 | A | 90.6 | Very high | 89.3 | Confident | 15 Ų | 15 | 56.1 Ų | 56.1 | 12% | 0.124 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.7 | -49.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | E12 F13 I14 L18 E19 I20 Y36 | E12-A16 WeakPolarHBondContact O-CB 3.4Å; E12-A16 PolarHBondContact O-N 3.49Å; F13-A16 PolarHBondContact O-N 2.95Å; I14-A16 VanDerWaalsContact C-N 3.34Å; I14-A16 PolarHBondContact O-N 3.06Å; A16-L18 VanDerWaalsContact C-N 3.34Å; A16-L18 PolarHBondContact O-N 3.44Å; A16-E19 PolarHBondContact O-N 2.78Å; A16-E19 VanDerWaalsContact O-N 3.08Å; A16-I20 HydrophobicContact CB-CD1 4.49Å; A16-I20 WeakPolarHBondContact O-CD1 3.48Å; A16-I20 WeakPolarHBondContact O-CG1 3.15Å; A16-I20 PolarHBondContact O-N 3.38Å; A16-Y36 HydrophobicContact CB-CE1 3.98Å |
| 17 | F | 92.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -53.8 | -52.3 | 177.1 | -176.3 | -79.1 | 0 | 0 | 0 | 111.3 | F13 I14 E19 I20 D21 I28 W50 I62 I64 F67 | F13-F17 WeakPolarHBondContact O-CB 3.33Å; F13-F17 PolarHBondContact O-N 3.48Å; I14-F17 PolarHBondContact O-N 3.4Å; F17-E19 PolarHBondContact O-N 3.05Å; F17-I20 PolarHBondContact O-N 3.12Å; F17-D21 PolarHBondContact O-N 2.93Å; F17-D21 VanDerWaalsContact O-N 3.09Å; F17-I28 HydrophobicContact CB-CD1 4.07Å; F17-I28 HydrophobicContact CD1-CD1 4.31Å; F17-I28 HydrophobicContact CD2-CD1 3.18Å; F17-I28 HydrophobicContact CD2-CG1 4.12Å; F17-I28 HydrophobicContact CE2-CD1 3.49Å; F17-I28 VanDerWaalsContact CE2-CD1 3.49Å; F17-I28 HydrophobicContact CE2-CG1 3.91Å; F17-I28 HydrophobicContact CG-CD1 3.62Å; F17-I28 HydrophobicContact CZ-CD1 4.17Å; F17-I28 HydrophobicContact CZ-CG1 4.28Å; F17-W50 HydrophobicContact CD2-CH2 4.42Å; F17-I62 HydrophobicContact CE2-CG2 4.13Å; F17-I64 HydrophobicContact CE1-CB 4.06Å; F17-I64 HydrophobicContact CE1-CG1 4.11Å; F17-I64 HydrophobicContact CZ-CB 4Å; F17-I64 HydrophobicContact CZ-CG1 4.45Å; F17-F67 HydrophobicContact CB-CD2 4.32Å; F17-F67 HydrophobicContact CB-CE1 4.22Å; F17-F67 HydrophobicContact CB-CE2 3.93Å; F17-F67 HydrophobicContact CB-CZ 3.9Å; F17-F67 HydrophobicContact CD2-CB 3.89Å; F17-F67 HydrophobicContact CD2-CD1 4.11Å; F17-F67 AromaticContact CD2-CD2 3.44Å; F17-F67 HydrophobicContact CD2-CD2 3.44Å; F17-F67 VanDerWaalsContact CD2-CD2 3.44Å; F17-F67 AromaticContact CD2-CE2 3.93Å; F17-F67 HydrophobicContact CD2-CE2 3.93Å; F17-F67 AromaticContact CD2-CG 3.54Å; F17-F67 HydrophobicContact CD2-CG 3.54Å; F17-F67 HydrophobicContact CD2-CZ 4.48Å; F17-F67 HydrophobicContact CE2-CB 3.72Å; F17-F67 HydrophobicContact CE2-CD2 4.13Å; F17-F67 AromaticContact CE2-CG 3.92Å; F17-F67 HydrophobicContact CE2-CG 3.92Å; F17-F67 HydrophobicContact CG-CD1 4.2Å; F17-F67 HydrophobicContact CG-CD2 4.1Å; F17-F67 HydrophobicContact CG-CE1 4.34Å; F17-F67 HydrophobicContact CG-CE2 4.22Å; F17-F67 HydrophobicContact CG-CG 4.08Å; F17-F67 HydrophobicContact CG-CZ 4.36Å; F17-F67 HydrophobicContact CZ-CB 4.38Å |
| 18 | L | 92.1 | Very high | 90 | Very high | 9 Ų | 9 | 49 Ų | 49 | 5% | 0.047 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -67 | -21.2 | -179.4 | -65.5 | 178.1 | 0 | 0 | 0 | 114 | I14 R15 A16 I78 E81 K82 L85 | I14-L18 HydrophobicContact CG2-CD1 3.88Å; I14-L18 HydrophobicContact CG2-CG 4.29Å; I14-L18 VanDerWaalsContact O-CG 3.29Å; I14-L18 WeakPolarHBondContact O-CG 3.34Å; I14-L18 PolarHBondContact O-N 3.15Å; R15-L18 PolarHBondContact O-N 2.92Å; A16-L18 VanDerWaalsContact C-N 3.34Å; A16-L18 PolarHBondContact O-N 3.44Å; L18-I78 HydrophobicContact CD1-CG2 4.47Å; L18-I78 HydrophobicContact CD2-CG2 3.92Å; L18-I78 HydrophobicContact CG-CG2 4.43Å; L18-E81 HydrophobicContact CD1-CB 4.25Å; L18-E81 HydrophobicContact CD1-CG 4.41Å; L18-K82 HydrophobicContact CD1-CB 4.5Å; L18-K82 HydrophobicContact CD2-CB 3.79Å; L18-K82 HydrophobicContact CD2-CD 4.15Å; L18-K82 HydrophobicContact CD2-CG 4.02Å; L18-L85 HydrophobicContact CB-CD1 3.94Å; L18-L85 HydrophobicContact CD1-CD1 3.61Å; L18-L85 HydrophobicContact CG-CD1 4.44Å |
| 19 | E | 89.8 | Confident | 90.1 | Very high | 48 Ų | 48 | 49.7 Ų | 49.7 | 22% | 0.224 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -84.4 | -35.3 | 173.9 | -170.4 | -175 | 160.9 | 0 | 0 | 112.2 | R15 A16 F17 Y36 K39 Y40 | R15-E19 WeakPolarHBondContact O-CB 3.32Å; R15-E19 PolarHBondContact O-N 3.39Å; A16-E19 PolarHBondContact O-N 2.78Å; A16-E19 VanDerWaalsContact O-N 3.08Å; F17-E19 PolarHBondContact O-N 3.05Å; E19-Y36 HydrophobicContact CB-CE2 4.2Å; E19-Y36 HydrophobicContact CG-CE2 4.24Å; E19-K39 IonicContact OE1-NZ 2.82Å; E19-K39 PolarHBondContact OE1-NZ 3.27Å; E19-Y40 VanDerWaalsContact CD-OH 3.27Å; E19-Y40 PolarHBondContact OE1-OH 3.18Å; E19-Y40 PolarHBondContact OE2-OH 2.93Å |
| 20 | I | 90.9 | Very high | 90.2 | Very high | 13 Ų | 13 | 46.9 Ų | 46.9 | 7% | 0.067 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -70.8 | -42.2 | -179.4 | -62.4 | 161.9 | 0 | 0 | 0 | 110.8 | A16 F17 A22 I28 E32 L33 Y36 | A16-I20 HydrophobicContact CB-CD1 4.49Å; A16-I20 WeakPolarHBondContact O-CD1 3.48Å; A16-I20 WeakPolarHBondContact O-CG1 3.15Å; A16-I20 PolarHBondContact O-N 3.38Å; F17-I20 PolarHBondContact O-N 3.12Å; I20-A22 PolarHBondContact O-N 2.92Å; I20-I28 HydrophobicContact CB-CD1 3.77Å; I20-I28 HydrophobicContact CB-CG1 4.07Å; I20-I28 HydrophobicContact CB-CG2 4.48Å; I20-I28 HydrophobicContact CD1-CD1 4.1Å; I20-I28 HydrophobicContact CG2-CB 4.25Å; I20-I28 HydrophobicContact CG2-CD1 3.97Å; I20-I28 HydrophobicContact CG2-CG1 3.82Å; I20-I28 HydrophobicContact CG2-CG2 3.55Å; I20-E32 HydrophobicContact CG2-CB 3.65Å; I20-L33 HydrophobicContact CD1-CD1 3.91Å; I20-Y36 HydrophobicContact CD1-CD1 3.91Å; I20-Y36 HydrophobicContact CD1-CD2 4Å; I20-Y36 HydrophobicContact CD1-CE1 4.41Å; I20-Y36 HydrophobicContact CD1-CE2 4.46Å; I20-Y36 HydrophobicContact CD1-CG 3.69Å; I20-Y36 HydrophobicContact CG1-CD1 4.15Å; I20-Y36 HydrophobicContact CG1-CD2 3.3Å; I20-Y36 HydrophobicContact CG1-CE2 3.91Å; I20-Y36 HydrophobicContact CG1-CG 3.44Å; I20-Y36 VanDerWaalsContact CG1-CG 3.44Å |
| 21 | D | 89.8 | Confident | 90.3 | Very high | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.011 | 25% | 0.254 | C | S | . | . | trans | -70.7 | 61.5 | 174.9 | 174.2 | 30.8 | 0 | 0 | 0 | 111.6 | F17 S24 N25 E26 I28 K82 | F17-D21 PolarHBondContact O-N 2.93Å; F17-D21 VanDerWaalsContact O-N 3.09Å; D21-S24 PolarHBondContact O-N 3.4Å; D21-S24 WeakPolarHBondContact OD1-CA 3.32Å; D21-S24 PolarHBondContact OD1-N 3.29Å; D21-N25 PolarHBondContact OD1-N 3.23Å; D21-N25 PolarHBondContact OD1-OD1 3.29Å; D21-E26 PolarHBondContact OD1-N 3.24Å; D21-E26 WeakPolarHBondContact OD2-CA 3.23Å; D21-E26 PolarHBondContact OD2-N 2.87Å; D21-I28 HydrophobicContact CB-CG1 4.48Å; D21-K82 IonicContact OD1-NZ 3.26Å; D21-K82 IonicContact OD2-NZ 2.63Å; D21-K82 PolarHBondContact OD2-NZ 2.93Å | ||
| 22 | A | 79.9 | Confident | 90.2 | Very high | 82 Ų | 82 | 50.2 Ų | 50.2 | 68% | 0.678 | 26% | 0.262 | S | S | * | . | trans | -75.1 | -31 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | I20 S24 | I20-A22 PolarHBondContact O-N 2.92Å; A22-S24 PolarHBondContact O-N 3.18Å | ||
| 23 | D | 84.4 | Confident | 90.2 | Very high | 97 Ų | 97 | 46.1 Ų | 46.1 | 52% | 0.519 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -79.8 | -7.4 | 176.4 | 73.8 | -11.6 | 0 | 0 | 0 | 112.7 | N25 | D23-N25 VanDerWaalsContact C-N 3.28Å; D23-N25 VanDerWaalsContact CG-ND2 3.29Å; D23-N25 PolarHBondContact O-N 2.94Å; D23-N25 WeakPolarHBondContact OD1-CB 3.33Å; D23-N25 PolarHBondContact OD1-N 2.97Å; D23-N25 VanDerWaalsContact OD1-N 3.08Å; D23-N25 PolarHBondContact OD1-ND2 2.77Å; D23-N25 VanDerWaalsContact OD1-ND2 3.14Å; D23-N25 PolarHBondContact OD1-OD1 3.21Å; D23-N25 PolarHBondContact OD2-ND2 2.95Å |
| 24 | S | 85.1 | Confident | 90.2 | Very high | 71 Ų | 71 | 44.3 Ų | 44.3 | 50% | 0.497 | 24% | 0.236 | S | C | . | . | trans | 61.5 | 32.5 | 179.5 | -59.9 | 0 | 0 | 0 | 0 | 114.7 | D21 A22 K82 | D21-S24 PolarHBondContact O-N 3.4Å; D21-S24 WeakPolarHBondContact OD1-CA 3.32Å; D21-S24 PolarHBondContact OD1-N 3.29Å; A22-S24 PolarHBondContact O-N 3.18Å; S24-K82 VanDerWaalsContact CA-NZ 3.25Å; S24-K82 VanDerWaalsContact CB-NZ 3.29Å; S24-K82 WeakPolarHBondContact OG-CE 3.27Å; S24-K82 PolarHBondContact OG-NZ 2.94Å | ||
| 25 | N | 90.7 | Very high | 90.2 | Very high | 69 Ų | 69 | 50.2 Ų | 50.2 | 37% | 0.369 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -81.2 | -2.6 | 171.9 | 73.2 | 19.3 | 0 | 0 | 0 | 112.9 | D21 D23 M27 | D21-N25 PolarHBondContact OD1-N 3.23Å; D21-N25 PolarHBondContact OD1-OD1 3.29Å; D23-N25 VanDerWaalsContact C-N 3.28Å; D23-N25 VanDerWaalsContact CG-ND2 3.29Å; D23-N25 PolarHBondContact O-N 2.94Å; D23-N25 WeakPolarHBondContact OD1-CB 3.33Å; D23-N25 PolarHBondContact OD1-N 2.97Å; D23-N25 VanDerWaalsContact OD1-N 3.08Å; D23-N25 PolarHBondContact OD1-ND2 2.77Å; D23-N25 VanDerWaalsContact OD1-ND2 3.14Å; D23-N25 PolarHBondContact OD1-OD1 3.21Å; D23-N25 PolarHBondContact OD2-ND2 2.95Å; N25-M27 PolarHBondContact O-N 2.89Å; N25-M27 VanDerWaalsContact OD1-CA 3.32Å; N25-M27 WeakPolarHBondContact OD1-CA 3.21Å; N25-M27 WeakPolarHBondContact OD1-CB 3.38Å; N25-M27 PolarHBondContact OD1-N 3.49Å; N25-M27 PolarHBondContact OD1-O 3.25Å |
| 26 | E | 92.4 | Very high | 90.1 | Very high | 50 Ų | 50 | 47.7 Ų | 47.7 | 23% | 0.234 | 25% | 0.253 | C | S | . | . | S | Bend | trans | 64.4 | 23.5 | -178.5 | -54.5 | -167.6 | 145.4 | 0 | 0 | 114.4 | D21 S63 I64 R79 | D21-E26 PolarHBondContact OD1-N 3.24Å; D21-E26 WeakPolarHBondContact OD2-CA 3.23Å; D21-E26 PolarHBondContact OD2-N 2.87Å; E26-S63 CarbonylContact O-C 3.33Å; E26-S63 WeakPolarHBondContact O-CA 3.5Å; E26-I64 HydrophobicContact CB-CB 4.15Å; E26-I64 HydrophobicContact CB-CG2 3.77Å; E26-I64 HydrophobicContact CG-CG2 4.43Å; E26-I64 PolarHBondContact O-N 3.14Å; E26-R79 WeakPolarHBondContact OE1-CD 3.43Å; E26-R79 WeakPolarHBondContact OE1-CG 3.5Å; E26-R79 IonicContact OE1-CZ 3.88Å; E26-R79 IonicContact OE1-NE 3.33Å; E26-R79 PolarHBondContact OE1-NE 3.23Å; E26-R79 IonicContact OE1-NH2 3.37Å; E26-R79 IonicContact OE2-CZ 2.69Å; E26-R79 IonicContact OE2-NE 2.76Å; E26-R79 PolarHBondContact OE2-NE 2.78Å; E26-R79 IonicContact OE2-NH2 2.87Å; E26-R79 PolarHBondContact OE2-NH2 2.71Å |
| 27 | M | 93.5 | Very high | 90.1 | Very high | 56 Ų | 56 | 47.4 Ų | 47.4 | 28% | 0.276 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 154.7 | 177.9 | -56.7 | -158.9 | -68.1 | 0 | 0 | 110.6 | N25 K61 I62 | N25-M27 PolarHBondContact O-N 2.89Å; N25-M27 VanDerWaalsContact OD1-CA 3.32Å; N25-M27 WeakPolarHBondContact OD1-CA 3.21Å; N25-M27 WeakPolarHBondContact OD1-CB 3.38Å; N25-M27 PolarHBondContact OD1-N 3.49Å; N25-M27 PolarHBondContact OD1-O 3.25Å; M27-K61 HydrophobicContact CE-CD 3.94Å; M27-K61 HydrophobicContact SD-CD 4.23Å; M27-I62 CarbonylContact C-O 3.57Å; M27-I62 WeakPolarHBondContact CA-O 3.37Å |
| 28 | I | 92.7 | Very high | 90.1 | Very high | 3 Ų | 3 | 53.1 Ų | 53.1 | 2% | 0.015 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 118.4 | 171.9 | -64.6 | 173.5 | 0 | 0 | 0 | 108.3 | F17 I20 D21 E32 L33 W50 K61 I62 | F17-I28 HydrophobicContact CB-CD1 4.07Å; F17-I28 HydrophobicContact CD1-CD1 4.31Å; F17-I28 HydrophobicContact CD2-CD1 3.18Å; F17-I28 HydrophobicContact CD2-CG1 4.12Å; F17-I28 HydrophobicContact CE2-CD1 3.49Å; F17-I28 VanDerWaalsContact CE2-CD1 3.49Å; F17-I28 HydrophobicContact CE2-CG1 3.91Å; F17-I28 HydrophobicContact CG-CD1 3.62Å; F17-I28 HydrophobicContact CZ-CD1 4.17Å; F17-I28 HydrophobicContact CZ-CG1 4.28Å; I20-I28 HydrophobicContact CB-CD1 3.77Å; I20-I28 HydrophobicContact CB-CG1 4.07Å; I20-I28 HydrophobicContact CB-CG2 4.48Å; I20-I28 HydrophobicContact CD1-CD1 4.1Å; I20-I28 HydrophobicContact CG2-CB 4.25Å; I20-I28 HydrophobicContact CG2-CD1 3.97Å; I20-I28 HydrophobicContact CG2-CG1 3.82Å; I20-I28 HydrophobicContact CG2-CG2 3.55Å; D21-I28 HydrophobicContact CB-CG1 4.48Å; I28-E32 WeakPolarHBondContact CA-OE2 3.44Å; I28-E32 HydrophobicContact CG2-CB 4.39Å; I28-L33 HydrophobicContact CG2-CB 4.14Å; I28-W50 HydrophobicContact CD1-CH2 4.05Å; I28-W50 HydrophobicContact CG2-CZ3 4.32Å; I28-K61 CarbonylContact O-C 3.55Å; I28-K61 WeakPolarHBondContact O-CA 3.29Å; I28-I62 PolarHBondContact N-O 3.37Å; I28-I62 PolarHBondContact O-N 3.02Å |
| 29 | D | 92 | Very high | 90 | Very high | 60 Ų | 60 | 59 Ų | 59 | 32% | 0.321 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 163.9 | 171.7 | 78.7 | 40.4 | 0 | 0 | 0 | 112.4 | Q31 E32 L33 K61 | D29-Q31 PolarHBondContact O-N 3.31Å; D29-Q31 VanDerWaalsContact OD1-CA 3.25Å; D29-Q31 WeakPolarHBondContact OD1-CA 3.18Å; D29-Q31 WeakPolarHBondContact OD1-CB 3.39Å; D29-Q31 PolarHBondContact OD1-N 2.88Å; D29-E32 PolarHBondContact N-OE2 3.03Å; D29-E32 PolarHBondContact O-N 3.07Å; D29-E32 WeakPolarHBondContact OD1-CG 3.33Å; D29-E32 PolarHBondContact OD1-N 2.83Å; D29-L33 PolarHBondContact O-N 2.89Å; D29-K61 HydrophobicContact CB-CG 4.23Å |
| 30 | K | 90.1 | Very high | 90 | Very high | 80 Ų | 80 | 61.7 Ų | 61.7 | 35% | 0.348 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -57 | -35.3 | 179.1 | -174 | 168.8 | -169.5 | 165 | 0 | 112.8 | I34 I47 D48 I51 | K30-I34 HydrophobicContact CG-CD1 4.08Å; K30-I34 WeakPolarHBondContact O-CD1 3.41Å; K30-I34 WeakPolarHBondContact O-CG1 3.22Å; K30-I34 PolarHBondContact O-N 2.9Å; K30-I47 HydrophobicContact CG-CG2 4.2Å; K30-D48 WeakPolarHBondContact CE-OD1 3.49Å; K30-D48 IonicContact NZ-OD1 3.69Å; K30-D48 PolarHBondContact NZ-OD1 3.33Å; K30-I51 HydrophobicContact CB-CD1 3.84Å; K30-I51 HydrophobicContact CD-CD1 3.96Å; K30-I51 HydrophobicContact CG-CD1 3.74Å |
| 31 | Q | 91.5 | Very high | 89.9 | Confident | 104 Ų | 104 | 72.1 Ų | 72.1 | 49% | 0.486 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -72.6 | -38.4 | -178.2 | -169.7 | 63.4 | 36.2 | 0 | 0 | 111.5 | D29 I34 K35 | D29-Q31 PolarHBondContact O-N 3.31Å; D29-Q31 VanDerWaalsContact OD1-CA 3.25Å; D29-Q31 WeakPolarHBondContact OD1-CA 3.18Å; D29-Q31 WeakPolarHBondContact OD1-CB 3.39Å; D29-Q31 PolarHBondContact OD1-N 2.88Å; Q31-I34 PolarHBondContact O-N 3.04Å; Q31-K35 VanDerWaalsContact O-CG 3.29Å; Q31-K35 WeakPolarHBondContact O-CG 3.31Å; Q31-K35 PolarHBondContact O-N 2.87Å |
| 32 | E | 91.7 | Very high | 89.8 | Confident | 34 Ų | 34 | 76 Ų | 76 | 16% | 0.159 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.4 | -44.4 | 173.1 | -67.8 | 175.2 | 135.2 | 0 | 0 | 111.1 | I20 I28 D29 I34 K35 Y36 | I20-E32 HydrophobicContact CG2-CB 3.65Å; I28-E32 WeakPolarHBondContact CA-OE2 3.44Å; I28-E32 HydrophobicContact CG2-CB 4.39Å; D29-E32 PolarHBondContact N-OE2 3.03Å; D29-E32 PolarHBondContact O-N 3.07Å; D29-E32 WeakPolarHBondContact OD1-CG 3.33Å; D29-E32 PolarHBondContact OD1-N 2.83Å; E32-I34 PolarHBondContact O-N 3.26Å; E32-K35 PolarHBondContact O-N 2.78Å; E32-Y36 PolarHBondContact O-N 2.75Å |
| 33 | L | 89.6 | Confident | 90.1 | Very high | 11 Ų | 11 | 76.2 Ų | 76.2 | 6% | 0.058 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62.1 | -43.7 | 175.2 | -169.6 | 63.4 | 0 | 0 | 0 | 112.1 | I20 I28 D29 K35 Y36 C37 I47 W50 I51 | I20-L33 HydrophobicContact CD1-CD1 3.91Å; I28-L33 HydrophobicContact CG2-CB 4.14Å; D29-L33 PolarHBondContact O-N 2.89Å; L33-K35 PolarHBondContact O-N 3.25Å; L33-Y36 PolarHBondContact O-N 3.23Å; L33-C37 PolarHBondContact O-N 3.2Å; L33-C37 PolarHBondContact O-SG 3.44Å; L33-C37 VanDerWaalsContact O-SG 3.4Å; L33-I47 HydrophobicContact CD2-CB 4.31Å; L33-I47 HydrophobicContact CD2-CG1 4.35Å; L33-I47 HydrophobicContact CD2-CG2 3.86Å; L33-I47 HydrophobicContact CG-CG1 4.33Å; L33-I47 HydrophobicContact CG-CG2 4.45Å; L33-W50 HydrophobicContact CD1-CE3 3.86Å; L33-W50 HydrophobicContact CD1-CH2 4.31Å; L33-W50 HydrophobicContact CD1-CZ3 3.69Å; L33-W50 HydrophobicContact CD2-CD2 4.25Å; L33-W50 HydrophobicContact CD2-CE3 3.29Å; L33-W50 HydrophobicContact CD2-CZ3 3.7Å; L33-W50 HydrophobicContact CG-CE3 4.23Å; L33-W50 HydrophobicContact CG-CZ3 4.3Å; L33-I51 HydrophobicContact CD2-CD1 4.49Å; L33-I51 HydrophobicContact CD2-CG1 4.18Å |
| 34 | I | 91.3 | Very high | 90.3 | Very high | 37 Ų | 37 | 75.1 Ų | 75.1 | 19% | 0.19 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -56.8 | -49.7 | 173.6 | -72.7 | 163.5 | 0 | 0 | 0 | 110.5 | K30 Q31 E32 Y36 C37 Q38 I47 | K30-I34 HydrophobicContact CG-CD1 4.08Å; K30-I34 WeakPolarHBondContact O-CD1 3.41Å; K30-I34 WeakPolarHBondContact O-CG1 3.22Å; K30-I34 PolarHBondContact O-N 2.9Å; Q31-I34 PolarHBondContact O-N 3.04Å; E32-I34 PolarHBondContact O-N 3.26Å; I34-Y36 VanDerWaalsContact C-N 3.28Å; I34-Y36 PolarHBondContact O-N 3.4Å; I34-C37 PolarHBondContact O-N 3.47Å; I34-Q38 HydrophobicContact CG2-CG 4.33Å; I34-Q38 WeakPolarHBondContact O-CB 3.44Å; I34-Q38 VanDerWaalsContact O-CG 3.28Å; I34-Q38 WeakPolarHBondContact O-CG 3.48Å; I34-Q38 PolarHBondContact O-N 3.45Å; I34-I47 HydrophobicContact CB-CD1 4.3Å; I34-I47 HydrophobicContact CG1-CD1 3.58Å |
| 35 | K | 92.1 | Very high | 90.5 | Very high | 123 Ų | 123 | 79.7 Ų | 79.7 | 54% | 0.535 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -59.1 | -41.4 | 179.8 | -74.1 | 168.6 | -177 | 168.5 | 0 | 111.3 | Q31 E32 L33 Q38 K39 | Q31-K35 VanDerWaalsContact O-CG 3.29Å; Q31-K35 WeakPolarHBondContact O-CG 3.31Å; Q31-K35 PolarHBondContact O-N 2.87Å; E32-K35 PolarHBondContact O-N 2.78Å; L33-K35 PolarHBondContact O-N 3.25Å; K35-Q38 PolarHBondContact O-N 3.25Å; K35-K39 WeakPolarHBondContact O-CB 3.38Å; K35-K39 PolarHBondContact O-N 2.99Å |
| 36 | Y | 90.8 | Very high | 90.2 | Very high | 38 Ų | 38 | 81.3 Ų | 81.3 | 15% | 0.149 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -65.4 | -48.8 | 177.6 | -174 | -90.9 | 0 | 0 | 0 | 112.3 | A16 E19 I20 E32 L33 I34 Q38 K39 Y40 L42 | A16-Y36 HydrophobicContact CB-CE1 3.98Å; E19-Y36 HydrophobicContact CB-CE2 4.2Å; E19-Y36 HydrophobicContact CG-CE2 4.24Å; I20-Y36 HydrophobicContact CD1-CD1 3.91Å; I20-Y36 HydrophobicContact CD1-CD2 4Å; I20-Y36 HydrophobicContact CD1-CE1 4.41Å; I20-Y36 HydrophobicContact CD1-CE2 4.46Å; I20-Y36 HydrophobicContact CD1-CG 3.69Å; I20-Y36 HydrophobicContact CG1-CD1 4.15Å; I20-Y36 HydrophobicContact CG1-CD2 3.3Å; I20-Y36 HydrophobicContact CG1-CE2 3.91Å; I20-Y36 HydrophobicContact CG1-CG 3.44Å; I20-Y36 VanDerWaalsContact CG1-CG 3.44Å; E32-Y36 PolarHBondContact O-N 2.75Å; L33-Y36 PolarHBondContact O-N 3.23Å; I34-Y36 VanDerWaalsContact C-N 3.28Å; I34-Y36 PolarHBondContact O-N 3.4Å; Y36-Q38 PolarHBondContact O-N 2.95Å; Y36-K39 PolarHBondContact O-N 3.25Å; Y36-Y40 HydrophobicContact CD1-CD2 4.06Å; Y36-Y40 AromaticContact CD2-CD2 3.8Å; Y36-Y40 HydrophobicContact CD2-CD2 3.8Å; Y36-Y40 AromaticContact CD2-CE2 3.71Å; Y36-Y40 HydrophobicContact CD2-CE2 3.71Å; Y36-Y40 AromaticContact CE1-CD2 3.77Å; Y36-Y40 HydrophobicContact CE1-CD2 3.77Å; Y36-Y40 HydrophobicContact CE1-CE2 4.31Å; Y36-Y40 AromaticContact CE2-CD2 3.53Å; Y36-Y40 HydrophobicContact CE2-CD2 3.53Å; Y36-Y40 AromaticContact CE2-CE2 3.23Å; Y36-Y40 HydrophobicContact CE2-CE2 3.23Å; Y36-Y40 HydrophobicContact CG-CD2 4.06Å; Y36-Y40 HydrophobicContact CG-CE2 4.43Å; Y36-Y40 AromaticContact CZ-CD2 3.49Å; Y36-Y40 VanDerWaalsContact CZ-CD2 3.49Å; Y36-Y40 AromaticContact CZ-CE2 3.57Å; Y36-Y40 WeakPolarHBondContact O-CD2 3.37Å; Y36-Y40 PolarHBondContact O-N 2.92Å; Y36-L42 HydrophobicContact CD1-CD1 4.19Å; Y36-L42 HydrophobicContact CE1-CD1 3.97Å |
| 37 | C | 89.7 | Confident | 89.9 | Confident | 9 Ų | 9 | 79.3 Ų | 79.3 | 6% | 0.061 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -57.9 | -36.4 | 175.3 | -69.1 | 0 | 0 | 0 | 0 | 111.4 | L33 I34 R41 L42 M44 I47 | L33-C37 PolarHBondContact O-N 3.2Å; L33-C37 PolarHBondContact O-SG 3.44Å; L33-C37 VanDerWaalsContact O-SG 3.4Å; I34-C37 PolarHBondContact O-N 3.47Å; C37-R41 CarbonylContact O-C 3.57Å; C37-R41 WeakPolarHBondContact O-CA 3.32Å; C37-R41 PolarHBondContact O-N 3.49Å; C37-L42 HydrophobicContact CB-CB 4.09Å; C37-L42 PolarHBondContact O-N 3.31Å; C37-M44 HydrophobicContact CB-CE 3.43Å; C37-M44 VanDerWaalsContact CB-CE 3.43Å; C37-M44 HydrophobicContact CB-SD 3.79Å; C37-I47 HydrophobicContact CB-CD1 4.35Å |
| 38 | Q | 91.8 | Very high | 89.7 | Confident | 119 Ų | 119 | 81.1 Ų | 81.1 | 56% | 0.556 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -70.7 | -45.8 | -180 | -75.4 | 176 | -14.4 | 0 | 0 | 110.7 | I34 K35 Y36 Y40 R41 M44 | I34-Q38 HydrophobicContact CG2-CG 4.33Å; I34-Q38 WeakPolarHBondContact O-CB 3.44Å; I34-Q38 VanDerWaalsContact O-CG 3.28Å; I34-Q38 WeakPolarHBondContact O-CG 3.48Å; I34-Q38 PolarHBondContact O-N 3.45Å; K35-Q38 PolarHBondContact O-N 3.25Å; Y36-Q38 PolarHBondContact O-N 2.95Å; Q38-Y40 VanDerWaalsContact C-N 3.31Å; Q38-Y40 PolarHBondContact O-N 3.35Å; Q38-R41 PolarHBondContact O-N 2.92Å; Q38-M44 HydrophobicContact CB-CE 4.14Å; Q38-M44 HydrophobicContact CG-CE 3.45Å; Q38-M44 VanDerWaalsContact CG-CE 3.45Å; Q38-M44 HydrophobicContact CG-SD 4.17Å |
| 39 | K | 91.2 | Very high | 89.6 | Confident | 133 Ų | 133 | 84.8 Ų | 84.8 | 58% | 0.578 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -56.5 | -44.6 | 177.5 | -179.3 | -176 | 172.8 | -166.7 | 0 | 111.7 | E19 K35 Y36 | E19-K39 IonicContact OE1-NZ 2.82Å; E19-K39 PolarHBondContact OE1-NZ 3.27Å; K35-K39 WeakPolarHBondContact O-CB 3.38Å; K35-K39 PolarHBondContact O-N 2.99Å; Y36-K39 PolarHBondContact O-N 3.25Å |
| 40 | Y | 88.2 | Confident | 89.3 | Confident | 104 Ų | 104 | 83.7 Ų | 83.7 | 41% | 0.408 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -96.7 | 5.3 | -176.7 | -69.6 | -73.2 | 0 | 0 | 0 | 114.5 | E19 Y36 Q38 L42 | E19-Y40 VanDerWaalsContact CD-OH 3.27Å; E19-Y40 PolarHBondContact OE1-OH 3.18Å; E19-Y40 PolarHBondContact OE2-OH 2.93Å; Y36-Y40 HydrophobicContact CD1-CD2 4.06Å; Y36-Y40 AromaticContact CD2-CD2 3.8Å; Y36-Y40 HydrophobicContact CD2-CD2 3.8Å; Y36-Y40 AromaticContact CD2-CE2 3.71Å; Y36-Y40 HydrophobicContact CD2-CE2 3.71Å; Y36-Y40 AromaticContact CE1-CD2 3.77Å; Y36-Y40 HydrophobicContact CE1-CD2 3.77Å; Y36-Y40 HydrophobicContact CE1-CE2 4.31Å; Y36-Y40 AromaticContact CE2-CD2 3.53Å; Y36-Y40 HydrophobicContact CE2-CD2 3.53Å; Y36-Y40 AromaticContact CE2-CE2 3.23Å; Y36-Y40 HydrophobicContact CE2-CE2 3.23Å; Y36-Y40 HydrophobicContact CG-CD2 4.06Å; Y36-Y40 HydrophobicContact CG-CE2 4.43Å; Y36-Y40 AromaticContact CZ-CD2 3.49Å; Y36-Y40 VanDerWaalsContact CZ-CD2 3.49Å; Y36-Y40 AromaticContact CZ-CE2 3.57Å; Y36-Y40 WeakPolarHBondContact O-CD2 3.37Å; Y36-Y40 PolarHBondContact O-N 2.92Å; Q38-Y40 VanDerWaalsContact C-N 3.31Å; Q38-Y40 PolarHBondContact O-N 3.35Å; Y40-L42 PolarHBondContact O-N 3.36Å |
| 41 | R | 89.9 | Confident | 89.2 | Confident | 233 Ų | 233 | 80.5 Ų | 80.5 | 88% | 0.879 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 39 | -179 | -54.1 | -179.6 | -178.1 | -176.7 | 0.1 | 113.4 | C37 Q38 | C37-R41 CarbonylContact O-C 3.57Å; C37-R41 WeakPolarHBondContact O-CA 3.32Å; C37-R41 PolarHBondContact O-N 3.49Å; Q38-R41 PolarHBondContact O-N 2.92Å |
| 42 | L | 86.4 | Confident | 89.1 | Confident | 82 Ų | 82 | 79.5 Ų | 79.5 | 43% | 0.429 | 38% | 0.383 | S | S | . | . | trans | -78.9 | 156.3 | 172.8 | -58.3 | 176.1 | 0 | 0 | 0 | 110.4 | Y36 C37 Y40 M44 | Y36-L42 HydrophobicContact CD1-CD1 4.19Å; Y36-L42 HydrophobicContact CE1-CD1 3.97Å; C37-L42 HydrophobicContact CB-CB 4.09Å; C37-L42 PolarHBondContact O-N 3.31Å; Y40-L42 PolarHBondContact O-N 3.36Å; L42-M44 PolarHBondContact O-N 2.86Å | ||
| 43 | D | 88.2 | Confident | 89 | Confident | 88 Ų | 88 | 85 Ų | 85 | 47% | 0.471 | 40% | 0.403 | S | S | . | . | trans | -68 | 118.3 | 177.7 | -172.4 | -7.6 | 0 | 0 | 0 | 110.6 | K45 L46 | D43-K45 PolarHBondContact O-N 3.32Å; D43-K45 VanDerWaalsContact O-N 3.12Å; D43-K45 WeakPolarHBondContact OD1-CB 3.48Å; D43-K45 WeakPolarHBondContact OD1-CG 3.47Å; D43-K45 PolarHBondContact OD1-N 2.92Å; D43-L46 HydrophobicContact CB-CD1 4.19Å; D43-L46 HydrophobicContact CB-CG 4.17Å; D43-L46 WeakPolarHBondContact O-CB 3.46Å; D43-L46 WeakPolarHBondContact O-CG 3.25Å; D43-L46 PolarHBondContact O-N 2.68Å | ||
| 44 | M | 87.4 | Confident | 89 | Confident | 73 Ų | 73 | 85 Ų | 85 | 36% | 0.36 | 40% | 0.402 | S | S | . | . | G | 310 helix | trans | -58.7 | -23.3 | 177.7 | -61.8 | -64.1 | 140.2 | 0 | 0 | 112.8 | C37 Q38 L42 L46 I47 | C37-M44 HydrophobicContact CB-CE 3.43Å; C37-M44 VanDerWaalsContact CB-CE 3.43Å; C37-M44 HydrophobicContact CB-SD 3.79Å; Q38-M44 HydrophobicContact CB-CE 4.14Å; Q38-M44 HydrophobicContact CG-CE 3.45Å; Q38-M44 VanDerWaalsContact CG-CE 3.45Å; Q38-M44 HydrophobicContact CG-SD 4.17Å; L42-M44 PolarHBondContact O-N 2.86Å; M44-L46 PolarHBondContact O-N 3.33Å; M44-I47 HydrophobicContact CB-CD1 4.36Å; M44-I47 WeakPolarHBondContact O-CB 3.22Å; M44-I47 VanDerWaalsContact O-CG1 3.31Å; M44-I47 WeakPolarHBondContact O-CG1 3.13Å; M44-I47 PolarHBondContact O-N 2.76Å; M44-I47 HydrophobicContact SD-CD1 3.77Å |
| 45 | K | 89 | Confident | 89 | Confident | 167 Ų | 167 | 83.9 Ų | 83.9 | 73% | 0.726 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -66.8 | -13.6 | 177.3 | -63.6 | 176.1 | -177 | 177.4 | 0 | 113.2 | D43 I47 P49 | D43-K45 PolarHBondContact O-N 3.32Å; D43-K45 VanDerWaalsContact O-N 3.12Å; D43-K45 WeakPolarHBondContact OD1-CB 3.48Å; D43-K45 WeakPolarHBondContact OD1-CG 3.47Å; D43-K45 PolarHBondContact OD1-N 2.92Å; K45-I47 VanDerWaalsContact C-N 3.33Å; K45-P49 WeakPolarHBondContact O-CD 3.29Å; K45-P49 WeakPolarHBondContact O-CG 3.38Å |
| 46 | L | 83.9 | Confident | 89 | Confident | 104 Ų | 104 | 81.9 Ų | 81.9 | 55% | 0.545 | 40% | 0.395 | S | S | . | . | G | 310 helix | trans | -79 | -17.5 | 177.1 | -59.8 | 174.2 | 0 | 0 | 0 | 112.9 | D43 M44 P49 W50 | D43-L46 HydrophobicContact CB-CD1 4.19Å; D43-L46 HydrophobicContact CB-CG 4.17Å; D43-L46 WeakPolarHBondContact O-CB 3.46Å; D43-L46 WeakPolarHBondContact O-CG 3.25Å; D43-L46 PolarHBondContact O-N 2.68Å; M44-L46 PolarHBondContact O-N 3.33Å; L46-P49 WeakPolarHBondContact O-CD 3.28Å; L46-W50 WeakPolarHBondContact O-CB 3.46Å; L46-W50 PolarHBondContact O-N 2.84Å |
| 47 | I | 87.8 | Confident | 89 | Confident | 7 Ų | 7 | 85.2 Ų | 85.2 | 4% | 0.036 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -63.9 | -56.2 | -173.7 | -64.6 | 176.2 | 0 | 0 | 0 | 111.3 | K30 L33 I34 C37 M44 K45 W50 I51 | K30-I47 HydrophobicContact CG-CG2 4.2Å; L33-I47 HydrophobicContact CD2-CB 4.31Å; L33-I47 HydrophobicContact CD2-CG1 4.35Å; L33-I47 HydrophobicContact CD2-CG2 3.86Å; L33-I47 HydrophobicContact CG-CG1 4.33Å; L33-I47 HydrophobicContact CG-CG2 4.45Å; I34-I47 HydrophobicContact CB-CD1 4.3Å; I34-I47 HydrophobicContact CG1-CD1 3.58Å; C37-I47 HydrophobicContact CB-CD1 4.35Å; M44-I47 HydrophobicContact CB-CD1 4.36Å; M44-I47 WeakPolarHBondContact O-CB 3.22Å; M44-I47 VanDerWaalsContact O-CG1 3.31Å; M44-I47 WeakPolarHBondContact O-CG1 3.13Å; M44-I47 PolarHBondContact O-N 2.76Å; M44-I47 HydrophobicContact SD-CD1 3.77Å; K45-I47 VanDerWaalsContact C-N 3.33Å; I47-W50 PolarHBondContact O-N 2.75Å; I47-W50 VanDerWaalsContact O-N 3.15Å; I47-I51 HydrophobicContact CG2-CD1 4.07Å; I47-I51 WeakPolarHBondContact O-CG1 3.48Å; I47-I51 PolarHBondContact O-N 3.32Å |
| 48 | D | 89.3 | Confident | 89 | Confident | 95 Ų | 95 | 93 Ų | 93 | 51% | 0.508 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63.6 | -43.5 | -176.2 | -62.5 | -38 | 0 | 0 | 0 | 112.5 | K30 W50 I51 A52 | K30-D48 WeakPolarHBondContact CE-OD1 3.49Å; K30-D48 IonicContact NZ-OD1 3.69Å; K30-D48 PolarHBondContact NZ-OD1 3.33Å; D48-W50 VanDerWaalsContact C-N 3.29Å; D48-W50 PolarHBondContact O-N 2.93Å; D48-I51 PolarHBondContact O-N 3.23Å; D48-A52 VanDerWaalsContact O-CB 3.29Å; D48-A52 WeakPolarHBondContact O-CB 3.46Å; D48-A52 PolarHBondContact O-N 3.2Å |
| 49 | P | 89 | Confident | 89.1 | Confident | 79 Ų | 79 | 90.5 Ų | 90.5 | 51% | 0.513 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -60.5 | -35.7 | 172 | -25.3 | 34.5 | 0 | 0 | 0 | 113.9 | K45 L46 R53 | K45-P49 WeakPolarHBondContact O-CD 3.29Å; K45-P49 WeakPolarHBondContact O-CG 3.38Å; L46-P49 WeakPolarHBondContact O-CD 3.28Å; P49-R53 WeakPolarHBondContact O-CB 3.49Å; P49-R53 PolarHBondContact O-N 2.94Å; P49-R53 VanDerWaalsContact O-N 3.11Å |
| 50 | W | 85.8 | Confident | 88.9 | Confident | 38 Ų | 38 | 89 Ų | 89 | 14% | 0.144 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -70.2 | -47 | 179.8 | -165.3 | 80.9 | 0 | 0 | 0 | 111.1 | F17 I28 L33 L46 I47 D48 A52 R53 F54 I62 F67 | F17-W50 HydrophobicContact CD2-CH2 4.42Å; I28-W50 HydrophobicContact CD1-CH2 4.05Å; I28-W50 HydrophobicContact CG2-CZ3 4.32Å; L33-W50 HydrophobicContact CD1-CE3 3.86Å; L33-W50 HydrophobicContact CD1-CH2 4.31Å; L33-W50 HydrophobicContact CD1-CZ3 3.69Å; L33-W50 HydrophobicContact CD2-CD2 4.25Å; L33-W50 HydrophobicContact CD2-CE3 3.29Å; L33-W50 HydrophobicContact CD2-CZ3 3.7Å; L33-W50 HydrophobicContact CG-CE3 4.23Å; L33-W50 HydrophobicContact CG-CZ3 4.3Å; L46-W50 WeakPolarHBondContact O-CB 3.46Å; L46-W50 PolarHBondContact O-N 2.84Å; I47-W50 PolarHBondContact O-N 2.75Å; I47-W50 VanDerWaalsContact O-N 3.15Å; D48-W50 VanDerWaalsContact C-N 3.29Å; D48-W50 PolarHBondContact O-N 2.93Å; W50-A52 PolarHBondContact O-N 3.22Å; W50-R53 WeakPolarHBondContact O-CB 3.47Å; W50-R53 PolarHBondContact O-N 3.27Å; W50-R53 VanDerWaalsContact O-N 3.13Å; W50-F54 AromaticContact CD1-CE2 3.63Å; W50-F54 HydrophobicContact CD2-CD2 4.13Å; W50-F54 HydrophobicContact CD2-CE2 4.34Å; W50-F54 AromaticContact CE2-CD2 3.95Å; W50-F54 AromaticContact CE2-CE2 3.87Å; W50-F54 HydrophobicContact CG-CD2 4.23Å; W50-F54 HydrophobicContact CG-CE2 4.2Å; W50-F54 HydrophobicContact CZ2-CD2 4.48Å; W50-F54 AromaticContact NE1-CD2 3.91Å; W50-F54 AromaticContact NE1-CE2 3.38Å; W50-F54 VanDerWaalsContact O-CD2 3.29Å; W50-F54 WeakPolarHBondContact O-CD2 3.34Å; W50-F54 PolarHBondContact O-N 3.39Å; W50-I62 HydrophobicContact CD2-CD1 3.97Å; W50-I62 HydrophobicContact CE3-CD1 3.15Å; W50-I62 HydrophobicContact CH2-CD1 3.84Å; W50-I62 HydrophobicContact CZ3-CD1 3.1Å; W50-I62 HydrophobicContact CZ3-CG1 4.33Å; W50-F67 HydrophobicContact CZ2-CD2 4.15Å; W50-F67 HydrophobicContact CZ2-CE2 4.01Å |
| 51 | I | 89.7 | Confident | 89.1 | Confident | 13 Ų | 13 | 87.8 Ų | 87.8 | 7% | 0.067 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -55.7 | -54.2 | 172.4 | -66.1 | 174.9 | 0 | 0 | 0 | 109.9 | K30 L33 I47 D48 R53 F54 D55 I62 | K30-I51 HydrophobicContact CB-CD1 3.84Å; K30-I51 HydrophobicContact CD-CD1 3.96Å; K30-I51 HydrophobicContact CG-CD1 3.74Å; L33-I51 HydrophobicContact CD2-CD1 4.49Å; L33-I51 HydrophobicContact CD2-CG1 4.18Å; I47-I51 HydrophobicContact CG2-CD1 4.07Å; I47-I51 WeakPolarHBondContact O-CG1 3.48Å; I47-I51 PolarHBondContact O-N 3.32Å; D48-I51 PolarHBondContact O-N 3.23Å; I51-R53 PolarHBondContact O-N 2.76Å; I51-F54 PolarHBondContact O-N 3.1Å; I51-F54 VanDerWaalsContact O-N 3.12Å; I51-D55 HydrophobicContact CG2-CB 3.87Å; I51-D55 VanDerWaalsContact O-CB 3.26Å; I51-D55 WeakPolarHBondContact O-CB 3.48Å; I51-D55 PolarHBondContact O-N 2.91Å; I51-I62 HydrophobicContact CG1-CD1 4.32Å |
| 52 | A | 89 | Confident | 89.3 | Confident | 82 Ų | 82 | 76.8 Ų | 76.8 | 68% | 0.678 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -59 | -20.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | D48 W50 | D48-A52 VanDerWaalsContact O-CB 3.29Å; D48-A52 WeakPolarHBondContact O-CB 3.46Å; D48-A52 PolarHBondContact O-N 3.2Å; W50-A52 PolarHBondContact O-N 3.22Å |
| 53 | R | 88.5 | Confident | 89.7 | Confident | 150 Ų | 150 | 73.8 Ų | 73.8 | 57% | 0.566 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -84 | -33.8 | 179.6 | 179.1 | 60.8 | -174.4 | 94.9 | -0.4 | 113.4 | P49 W50 I51 | P49-R53 WeakPolarHBondContact O-CB 3.49Å; P49-R53 PolarHBondContact O-N 2.94Å; P49-R53 VanDerWaalsContact O-N 3.11Å; W50-R53 WeakPolarHBondContact O-CB 3.47Å; W50-R53 PolarHBondContact O-N 3.27Å; W50-R53 VanDerWaalsContact O-N 3.13Å; I51-R53 PolarHBondContact O-N 2.76Å |
| 54 | F | 89.9 | Confident | 90 | Very high | 10 Ų | 10 | 69.6 Ų | 69.6 | 4% | 0.044 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -109.4 | -45.2 | -172 | -65.4 | -74.7 | 0 | 0 | 0 | 112.7 | W50 I51 T56 I62 R69 F71 | W50-F54 AromaticContact CD1-CE2 3.63Å; W50-F54 HydrophobicContact CD2-CD2 4.13Å; W50-F54 HydrophobicContact CD2-CE2 4.34Å; W50-F54 AromaticContact CE2-CD2 3.95Å; W50-F54 AromaticContact CE2-CE2 3.87Å; W50-F54 HydrophobicContact CG-CD2 4.23Å; W50-F54 HydrophobicContact CG-CE2 4.2Å; W50-F54 HydrophobicContact CZ2-CD2 4.48Å; W50-F54 AromaticContact NE1-CD2 3.91Å; W50-F54 AromaticContact NE1-CE2 3.38Å; W50-F54 VanDerWaalsContact O-CD2 3.29Å; W50-F54 WeakPolarHBondContact O-CD2 3.34Å; W50-F54 PolarHBondContact O-N 3.39Å; I51-F54 PolarHBondContact O-N 3.1Å; I51-F54 VanDerWaalsContact O-N 3.12Å; F54-T56 PolarHBondContact O-N 2.97Å; F54-T56 PolarHBondContact O-OG1 2.75Å; F54-T56 VanDerWaalsContact O-OG1 3.07Å; F54-I62 HydrophobicContact CB-CB 4.49Å; F54-I62 HydrophobicContact CB-CD1 3.85Å; F54-I62 HydrophobicContact CB-CG1 3.92Å; F54-I62 HydrophobicContact CB-CG2 3.71Å; F54-I62 HydrophobicContact CD2-CD1 4.33Å; F54-I62 HydrophobicContact CG-CG2 4.45Å; F54-R69 PolarHBondContact O-NH2 3.39Å; F54-F71 AromaticContact CE1-CD2 3.64Å; F54-F71 HydrophobicContact CE1-CD2 3.64Å; F54-F71 AromaticContact CE1-CE2 3.36Å; F54-F71 HydrophobicContact CE1-CE2 3.36Å; F54-F71 HydrophobicContact CE1-CG 4.44Å; F54-F71 AromaticContact CE1-CZ 4Å; F54-F71 HydrophobicContact CE1-CZ 4Å; F54-F71 HydrophobicContact CE2-CE2 4.22Å; F54-F71 HydrophobicContact CE2-CZ 4.43Å; F54-F71 AromaticContact CZ-CD2 3.97Å; F54-F71 HydrophobicContact CZ-CD2 3.97Å; F54-F71 HydrophobicContact CZ-CE1 4.33Å; F54-F71 AromaticContact CZ-CE2 3.19Å; F54-F71 HydrophobicContact CZ-CE2 3.19Å; F54-F71 AromaticContact CZ-CZ 3.44Å; F54-F71 HydrophobicContact CZ-CZ 3.44Å; F54-F71 VanDerWaalsContact CZ-CZ 3.44Å |
| 55 | D | 92 | Very high | 90.4 | Very high | 15 Ų | 15 | 70.4 Ų | 70.4 | 8% | 0.08 | 36% | 0.359 | C | S | . | . | trans | -64.2 | 103 | 178 | 177.9 | 4.6 | 0 | 0 | 0 | 109.6 | I51 K58 D59 N60 K61 I62 | I51-D55 HydrophobicContact CG2-CB 3.87Å; I51-D55 VanDerWaalsContact O-CB 3.26Å; I51-D55 WeakPolarHBondContact O-CB 3.48Å; I51-D55 PolarHBondContact O-N 2.91Å; D55-K58 WeakPolarHBondContact OD1-CA 3.46Å; D55-K58 PolarHBondContact OD1-N 2.66Å; D55-K58 WeakPolarHBondContact OD2-CA 3.31Å; D55-D59 PolarHBondContact OD1-N 2.94Å; D55-N60 WeakPolarHBondContact OD2-CA 3.38Å; D55-N60 PolarHBondContact OD2-N 2.66Å; D55-K61 WeakPolarHBondContact CB-O 3.3Å; D55-K61 VanDerWaalsContact CG-O 3.3Å; D55-I62 HydrophobicContact CB-CG1 4.21Å | ||
| 56 | T | 90.8 | Very high | 90.6 | Very high | 80 Ų | 80 | 63 Ų | 63 | 49% | 0.491 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -105 | -27.5 | -174.9 | -62.1 | 0 | 0 | 0 | 0 | 112.3 | F54 K58 E66 R69 | F54-T56 PolarHBondContact O-N 2.97Å; F54-T56 PolarHBondContact O-OG1 2.75Å; F54-T56 VanDerWaalsContact O-OG1 3.07Å; T56-K58 VanDerWaalsContact C-N 3.28Å; T56-E66 PolarHBondContact N-OE1 2.94Å; T56-R69 PolarHBondContact OG1-NH2 3.35Å |
| 57 | D | 92.2 | Very high | 91.1 | Very high | 108 Ų | 108 | 58.1 Ų | 58.1 | 58% | 0.578 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -83.2 | -8.5 | 173 | 69.8 | 12.6 | 0 | 0 | 0 | 113.2 | D59 E66 | D57-D59 VanDerWaalsContact C-N 3.35Å; D57-D59 WeakPolarHBondContact OD1-CB 3.18Å; D57-D59 PolarHBondContact OD1-N 3.03Å; D57-D59 VanDerWaalsContact OD1-N 3.15Å; D57-E66 PolarHBondContact N-OE1 3.38Å |
| 58 | K | 89.6 | Confident | 91.4 | Very high | 172 Ų | 172 | 57.8 Ų | 57.8 | 75% | 0.748 | 30% | 0.299 | S | S | * | . | trans | 66.5 | 33.1 | 175 | -55.2 | 178.8 | -179.9 | 176.4 | 0 | 112.9 | D55 T56 N60 | D55-K58 WeakPolarHBondContact OD1-CA 3.46Å; D55-K58 PolarHBondContact OD1-N 2.66Å; D55-K58 WeakPolarHBondContact OD2-CA 3.31Å; T56-K58 VanDerWaalsContact C-N 3.28Å; K58-N60 PolarHBondContact O-N 3.22Å | ||
| 59 | D | 92.5 | Very high | 91.5 | Very high | 68 Ų | 68 | 59.9 Ų | 59.9 | 36% | 0.364 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -83.3 | 0.9 | 175.9 | 86.4 | -17.5 | 0 | 0 | 0 | 113.4 | D55 D57 K61 | D55-D59 PolarHBondContact OD1-N 2.94Å; D57-D59 VanDerWaalsContact C-N 3.35Å; D57-D59 WeakPolarHBondContact OD1-CB 3.18Å; D57-D59 PolarHBondContact OD1-N 3.03Å; D57-D59 VanDerWaalsContact OD1-N 3.15Å; D59-K61 VanDerWaalsContact C-N 3.26Å; D59-K61 WeakPolarHBondContact OD1-CA 3.29Å; D59-K61 VanDerWaalsContact OD1-CB 3.23Å; D59-K61 WeakPolarHBondContact OD1-CB 3.5Å; D59-K61 PolarHBondContact OD1-N 3.46Å |
| 60 | N | 88.6 | Confident | 91.5 | Very high | 101 Ų | 101 | 57.1 Ų | 57.1 | 54% | 0.54 | 29% | 0.286 | S | S | . | . | S | Bend | trans | 65 | 22.4 | -173.4 | -62.7 | -78.4 | 0 | 0 | 0 | 114.5 | D55 K58 | D55-N60 WeakPolarHBondContact OD2-CA 3.38Å; D55-N60 PolarHBondContact OD2-N 2.66Å; K58-N60 PolarHBondContact O-N 3.22Å |
| 61 | K | 92.2 | Very high | 91.7 | Very high | 79 Ų | 79 | 57.6 Ų | 57.6 | 34% | 0.343 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 162.4 | 171.3 | -53.1 | 177.6 | -177.3 | 175.8 | 0 | 108.8 | M27 I28 D29 D55 D59 | M27-K61 HydrophobicContact CE-CD 3.94Å; M27-K61 HydrophobicContact SD-CD 4.23Å; I28-K61 CarbonylContact O-C 3.55Å; I28-K61 WeakPolarHBondContact O-CA 3.29Å; D29-K61 HydrophobicContact CB-CG 4.23Å; D55-K61 WeakPolarHBondContact CB-O 3.3Å; D55-K61 VanDerWaalsContact CG-O 3.3Å; D59-K61 VanDerWaalsContact C-N 3.26Å; D59-K61 WeakPolarHBondContact OD1-CA 3.29Å; D59-K61 VanDerWaalsContact OD1-CB 3.23Å; D59-K61 WeakPolarHBondContact OD1-CB 3.5Å; D59-K61 PolarHBondContact OD1-N 3.46Å |
| 62 | I | 92.9 | Very high | 91.7 | Very high | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 107.7 | 172.3 | -64.5 | 166.5 | 0 | 0 | 0 | 107.3 | F17 M27 I28 W50 I51 F54 D55 F67 | F17-I62 HydrophobicContact CE2-CG2 4.13Å; M27-I62 CarbonylContact C-O 3.57Å; M27-I62 WeakPolarHBondContact CA-O 3.37Å; I28-I62 PolarHBondContact N-O 3.37Å; I28-I62 PolarHBondContact O-N 3.02Å; W50-I62 HydrophobicContact CD2-CD1 3.97Å; W50-I62 HydrophobicContact CE3-CD1 3.15Å; W50-I62 HydrophobicContact CH2-CD1 3.84Å; W50-I62 HydrophobicContact CZ3-CD1 3.1Å; W50-I62 HydrophobicContact CZ3-CG1 4.33Å; I51-I62 HydrophobicContact CG1-CD1 4.32Å; F54-I62 HydrophobicContact CB-CB 4.49Å; F54-I62 HydrophobicContact CB-CD1 3.85Å; F54-I62 HydrophobicContact CB-CG1 3.92Å; F54-I62 HydrophobicContact CB-CG2 3.71Å; F54-I62 HydrophobicContact CD2-CD1 4.33Å; F54-I62 HydrophobicContact CG-CG2 4.45Å; D55-I62 HydrophobicContact CB-CG1 4.21Å; I62-F67 HydrophobicContact CG2-CB 4Å |
| 63 | S | 94.8 | Very high | 91.8 | Very high | 19 Ų | 19 | 57.9 Ų | 57.9 | 13% | 0.133 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 158.7 | 172.8 | 61 | 0 | 0 | 0 | 0 | 111.9 | E26 E65 E66 F67 | E26-S63 CarbonylContact O-C 3.33Å; E26-S63 WeakPolarHBondContact O-CA 3.5Å; S63-E65 PolarHBondContact O-N 3.31Å; S63-E66 PolarHBondContact N-OE2 3.36Å; S63-E66 PolarHBondContact O-N 3.5Å; S63-E66 WeakPolarHBondContact OG-CB 3.48Å; S63-E66 WeakPolarHBondContact OG-CG 3.4Å; S63-E66 PolarHBondContact OG-N 3.27Å; S63-E66 PolarHBondContact OG-OE2 2.75Å; S63-F67 WeakPolarHBondContact O-CB 3.46Å; S63-F67 PolarHBondContact O-N 2.91Å |
| 64 | I | 94.7 | Very high | 92 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.9 | -35.5 | 174.3 | -167 | 171.7 | 0 | 0 | 0 | 111.2 | F17 E26 C68 V75 I78 R79 | F17-I64 HydrophobicContact CE1-CB 4.06Å; F17-I64 HydrophobicContact CE1-CG1 4.11Å; F17-I64 HydrophobicContact CZ-CB 4Å; F17-I64 HydrophobicContact CZ-CG1 4.45Å; E26-I64 HydrophobicContact CB-CB 4.15Å; E26-I64 HydrophobicContact CB-CG2 3.77Å; E26-I64 HydrophobicContact CG-CG2 4.43Å; E26-I64 PolarHBondContact O-N 3.14Å; I64-C68 VanDerWaalsContact O-CB 3.22Å; I64-C68 WeakPolarHBondContact O-CB 3.12Å; I64-C68 PolarHBondContact O-N 3.08Å; I64-C68 PolarHBondContact O-SG 3.44Å; I64-V75 HydrophobicContact CD1-CG1 4.29Å; I64-V75 HydrophobicContact CG1-CG1 4.3Å; I64-V75 HydrophobicContact CG2-CG1 4.05Å; I64-I78 HydrophobicContact CD1-CB 4.21Å; I64-I78 HydrophobicContact CD1-CG2 3.83Å; I64-I78 HydrophobicContact CG1-CG2 4.18Å; I64-R79 HydrophobicContact CD1-CG 3.96Å |
| 65 | E | 95.1 | Very high | 92.2 | Very high | 91 Ų | 91 | 57 Ų | 57 | 43% | 0.425 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.1 | -46 | 175.5 | -73.3 | 70.9 | -155.2 | 0 | 0 | 111.7 | S63 R69 V75 R79 | S63-E65 PolarHBondContact O-N 3.31Å; E65-R69 VanDerWaalsContact O-CB 3.32Å; E65-R69 WeakPolarHBondContact O-CB 3.36Å; E65-R69 PolarHBondContact O-N 3.47Å; E65-V75 HydrophobicContact CG-CG2 4.36Å; E65-R79 IonicContact OE1-CZ 2.66Å; E65-R79 IonicContact OE1-NH2 3.91Å; E65-R79 PolarHBondContact OE1-NH2 3.39Å |
| 66 | E | 95.2 | Very high | 92.3 | Very high | 12 Ų | 12 | 60.3 Ų | 60.3 | 6% | 0.056 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -68.6 | -42.8 | 179.3 | -70.8 | 175.7 | 120.4 | 0 | 0 | 112.7 | T56 D57 S63 R69 G70 | T56-E66 PolarHBondContact N-OE1 2.94Å; D57-E66 PolarHBondContact N-OE1 3.38Å; S63-E66 PolarHBondContact N-OE2 3.36Å; S63-E66 PolarHBondContact O-N 3.5Å; S63-E66 WeakPolarHBondContact OG-CB 3.48Å; S63-E66 WeakPolarHBondContact OG-CG 3.4Å; S63-E66 PolarHBondContact OG-N 3.27Å; S63-E66 PolarHBondContact OG-OE2 2.75Å; E66-R69 PolarHBondContact O-N 2.97Å; E66-G70 PolarHBondContact O-N 2.89Å |
| 67 | F | 93.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.5 | -50.7 | 174.3 | -179.1 | -93.2 | 0 | 0 | 0 | 110.7 | F13 I14 F17 W50 I62 S63 R69 G70 F71 L73 | F13-F67 HydrophobicContact CB-CZ 4.29Å; I14-F67 HydrophobicContact CB-CE1 4.47Å; I14-F67 HydrophobicContact CG1-CE1 3.89Å; I14-F67 HydrophobicContact CG1-CZ 4.13Å; F17-F67 HydrophobicContact CB-CD2 4.32Å; F17-F67 HydrophobicContact CB-CE1 4.22Å; F17-F67 HydrophobicContact CB-CE2 3.93Å; F17-F67 HydrophobicContact CB-CZ 3.9Å; F17-F67 HydrophobicContact CD2-CB 3.89Å; F17-F67 HydrophobicContact CD2-CD1 4.11Å; F17-F67 AromaticContact CD2-CD2 3.44Å; F17-F67 HydrophobicContact CD2-CD2 3.44Å; F17-F67 VanDerWaalsContact CD2-CD2 3.44Å; F17-F67 AromaticContact CD2-CE2 3.93Å; F17-F67 HydrophobicContact CD2-CE2 3.93Å; F17-F67 AromaticContact CD2-CG 3.54Å; F17-F67 HydrophobicContact CD2-CG 3.54Å; F17-F67 HydrophobicContact CD2-CZ 4.48Å; F17-F67 HydrophobicContact CE2-CB 3.72Å; F17-F67 HydrophobicContact CE2-CD2 4.13Å; F17-F67 AromaticContact CE2-CG 3.92Å; F17-F67 HydrophobicContact CE2-CG 3.92Å; F17-F67 HydrophobicContact CG-CD1 4.2Å; F17-F67 HydrophobicContact CG-CD2 4.1Å; F17-F67 HydrophobicContact CG-CE1 4.34Å; F17-F67 HydrophobicContact CG-CE2 4.22Å; F17-F67 HydrophobicContact CG-CG 4.08Å; F17-F67 HydrophobicContact CG-CZ 4.36Å; F17-F67 HydrophobicContact CZ-CB 4.38Å; W50-F67 HydrophobicContact CZ2-CD2 4.15Å; W50-F67 HydrophobicContact CZ2-CE2 4.01Å; I62-F67 HydrophobicContact CG2-CB 4Å; S63-F67 WeakPolarHBondContact O-CB 3.46Å; S63-F67 PolarHBondContact O-N 2.91Å; F67-R69 PolarHBondContact O-N 3.28Å; F67-G70 PolarHBondContact O-N 3.36Å; F67-F71 HydrophobicContact CD1-CD2 4.29Å; F67-F71 HydrophobicContact CD2-CD2 4.23Å; F67-F71 AromaticContact CD2-CE2 3.95Å; F67-F71 HydrophobicContact CD2-CE2 3.95Å; F67-F71 AromaticContact CE1-CD2 3.95Å; F67-F71 HydrophobicContact CE1-CD2 3.95Å; F67-F71 HydrophobicContact CE1-CE2 4.2Å; F67-F71 AromaticContact CE2-CD2 3.91Å; F67-F71 HydrophobicContact CE2-CD2 3.91Å; F67-F71 AromaticContact CE2-CE2 3.38Å; F67-F71 HydrophobicContact CE2-CE2 3.38Å; F67-F71 HydrophobicContact CE2-CZ 4.44Å; F67-F71 HydrophobicContact CG-CD2 4.41Å; F67-F71 AromaticContact CZ-CD2 3.74Å; F67-F71 HydrophobicContact CZ-CD2 3.74Å; F67-F71 AromaticContact CZ-CE2 3.51Å; F67-F71 HydrophobicContact CZ-CE2 3.51Å; F67-F71 WeakPolarHBondContact O-CD2 3.49Å; F67-F71 PolarHBondContact O-N 3.27Å; F67-L73 HydrophobicContact CE1-CD1 4.25Å |
| 68 | C | 93.6 | Very high | 92.5 | Very high | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.007 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.1 | -44.1 | 178.7 | -71.6 | 0 | 0 | 0 | 0 | 111.8 | I64 G70 F71 G72 L73 V75 I78 | I64-C68 VanDerWaalsContact O-CB 3.22Å; I64-C68 WeakPolarHBondContact O-CB 3.12Å; I64-C68 PolarHBondContact O-N 3.08Å; I64-C68 PolarHBondContact O-SG 3.44Å; C68-G70 VanDerWaalsContact C-N 3.3Å; C68-G70 PolarHBondContact O-N 3.41Å; C68-F71 PolarHBondContact O-N 3.09Å; C68-G72 PolarHBondContact O-N 2.77Å; C68-L73 HydrophobicContact CB-CB 4.19Å; C68-L73 PolarHBondContact O-N 2.75Å; C68-V75 HydrophobicContact CB-CG2 3.75Å; C68-I78 VanDerWaalsContact SG-CG1 3.54Å |
| 69 | R | 92.6 | Very high | 92.7 | Very high | 138 Ų | 138 | 49.7 Ų | 49.7 | 52% | 0.521 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.2 | -42.2 | 175.9 | -177.8 | -168.4 | 60.1 | -154.5 | -22.6 | 111.4 | F54 T56 E65 E66 F67 F71 G72 | F54-R69 PolarHBondContact O-NH2 3.39Å; T56-R69 PolarHBondContact OG1-NH2 3.35Å; E65-R69 VanDerWaalsContact O-CB 3.32Å; E65-R69 WeakPolarHBondContact O-CB 3.36Å; E65-R69 PolarHBondContact O-N 3.47Å; E66-R69 PolarHBondContact O-N 2.97Å; F67-R69 PolarHBondContact O-N 3.28Å; R69-F71 PolarHBondContact O-N 3.21Å; R69-G72 PolarHBondContact O-N 2.91Å |
| 70 | G | 88.9 | Confident | 92.7 | Very high | 21 Ų | 21 | 50.1 Ų | 50.1 | 22% | 0.216 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.8 | -29.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114 | E66 F67 C68 | E66-G70 PolarHBondContact O-N 2.89Å; F67-G70 PolarHBondContact O-N 3.36Å; C68-G70 VanDerWaalsContact C-N 3.3Å; C68-G70 PolarHBondContact O-N 3.41Å |
| 71 | F | 88.4 | Confident | 93 | Very high | 49 Ų | 49 | 45.7 Ų | 45.7 | 22% | 0.215 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -105.6 | -3 | -179.8 | -73.2 | -70.1 | 0 | 0 | 0 | 114.8 | M10 F13 F54 F67 C68 R69 L73 | M10-F71 HydrophobicContact CE-CB 4.5Å; M10-F71 HydrophobicContact CE-CD1 3.99Å; M10-F71 HydrophobicContact CG-CD1 4.24Å; F13-F71 HydrophobicContact CB-CE2 4.43Å; F13-F71 HydrophobicContact CB-CZ 4.06Å; F13-F71 HydrophobicContact CD2-CE1 4.18Å; F13-F71 AromaticContact CD2-CZ 3.79Å; F13-F71 HydrophobicContact CD2-CZ 3.79Å; F13-F71 HydrophobicContact CG-CZ 4.15Å; F54-F71 AromaticContact CE1-CD2 3.64Å; F54-F71 HydrophobicContact CE1-CD2 3.64Å; F54-F71 AromaticContact CE1-CE2 3.36Å; F54-F71 HydrophobicContact CE1-CE2 3.36Å; F54-F71 HydrophobicContact CE1-CG 4.44Å; F54-F71 AromaticContact CE1-CZ 4Å; F54-F71 HydrophobicContact CE1-CZ 4Å; F54-F71 HydrophobicContact CE2-CE2 4.22Å; F54-F71 HydrophobicContact CE2-CZ 4.43Å; F54-F71 AromaticContact CZ-CD2 3.97Å; F54-F71 HydrophobicContact CZ-CD2 3.97Å; F54-F71 HydrophobicContact CZ-CE1 4.33Å; F54-F71 AromaticContact CZ-CE2 3.19Å; F54-F71 HydrophobicContact CZ-CE2 3.19Å; F54-F71 AromaticContact CZ-CZ 3.44Å; F54-F71 HydrophobicContact CZ-CZ 3.44Å; F54-F71 VanDerWaalsContact CZ-CZ 3.44Å; F67-F71 HydrophobicContact CD1-CD2 4.29Å; F67-F71 HydrophobicContact CD2-CD2 4.23Å; F67-F71 AromaticContact CD2-CE2 3.95Å; F67-F71 HydrophobicContact CD2-CE2 3.95Å; F67-F71 AromaticContact CE1-CD2 3.95Å; F67-F71 HydrophobicContact CE1-CD2 3.95Å; F67-F71 HydrophobicContact CE1-CE2 4.2Å; F67-F71 AromaticContact CE2-CD2 3.91Å; F67-F71 HydrophobicContact CE2-CD2 3.91Å; F67-F71 AromaticContact CE2-CE2 3.38Å; F67-F71 HydrophobicContact CE2-CE2 3.38Å; F67-F71 HydrophobicContact CE2-CZ 4.44Å; F67-F71 HydrophobicContact CG-CD2 4.41Å; F67-F71 AromaticContact CZ-CD2 3.74Å; F67-F71 HydrophobicContact CZ-CD2 3.74Å; F67-F71 AromaticContact CZ-CE2 3.51Å; F67-F71 HydrophobicContact CZ-CE2 3.51Å; F67-F71 WeakPolarHBondContact O-CD2 3.49Å; F67-F71 PolarHBondContact O-N 3.27Å; C68-F71 PolarHBondContact O-N 3.09Å; R69-F71 PolarHBondContact O-N 3.21Å; F71-L73 VanDerWaalsContact C-N 3.32Å; F71-L73 HydrophobicContact CB-CD1 3.53Å; F71-L73 HydrophobicContact CB-CG 3.63Å; F71-L73 HydrophobicContact CD2-CD1 4.44Å; F71-L73 HydrophobicContact CG-CD1 4.24Å |
| 72 | G | 89.9 | Confident | 93 | Very high | 73 Ų | 73 | 43.5 Ų | 43.5 | 75% | 0.753 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 69.2 | 29.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | C68 R69 | C68-G72 PolarHBondContact O-N 2.77Å; R69-G72 PolarHBondContact O-N 2.91Å |
| 73 | L | 91.7 | Very high | 92.9 | Very high | 28 Ų | 28 | 48 Ų | 48 | 15% | 0.147 | 25% | 0.251 | C | S | . | . | trans | -93.4 | 155.9 | -177.9 | -58.3 | 168.3 | 0 | 0 | 0 | 111.2 | M10 I14 F67 C68 F71 I78 P169 | M10-L73 HydrophobicContact SD-CD2 4.04Å; I14-L73 HydrophobicContact CD1-CD1 3.7Å; I14-L73 HydrophobicContact CD1-CD2 4.44Å; I14-L73 HydrophobicContact CG1-CD1 3.82Å; F67-L73 HydrophobicContact CE1-CD1 4.25Å; C68-L73 HydrophobicContact CB-CB 4.19Å; C68-L73 PolarHBondContact O-N 2.75Å; F71-L73 VanDerWaalsContact C-N 3.32Å; F71-L73 HydrophobicContact CB-CD1 3.53Å; F71-L73 HydrophobicContact CB-CG 3.63Å; F71-L73 HydrophobicContact CD2-CD1 4.44Å; F71-L73 HydrophobicContact CG-CD1 4.24Å; L73-I78 HydrophobicContact CB-CD1 4.3Å; L73-I78 HydrophobicContact CB-CG1 4.25Å; L73-I78 HydrophobicContact CD1-CD1 3.91Å; L73-I78 HydrophobicContact CD1-CG1 4.43Å; L73-P169 HydrophobicContact CD2-CG 4.02Å | ||
| 74 | K | 92.5 | Very high | 92.8 | Very high | 108 Ų | 108 | 47.7 Ų | 47.7 | 47% | 0.47 | 25% | 0.248 | S | C | . | . | trans | -88.1 | 122.4 | 171.7 | -66.9 | 175.7 | -173.1 | 164.4 | 0 | 109.7 | S76 E77 I78 | K74-S76 PolarHBondContact O-N 2.78Å; K74-E77 HydrophobicContact CB-CB 4.23Å; K74-E77 HydrophobicContact CB-CG 3.91Å; K74-E77 HydrophobicContact CD-CG 4.37Å; K74-E77 WeakPolarHBondContact O-CB 3.37Å; K74-E77 PolarHBondContact O-N 3.04Å; K74-I78 PolarHBondContact O-N 3.27Å | ||
| 75 | V | 94.4 | Very high | 92.5 | Very high | 33 Ų | 33 | 48.8 Ų | 48.8 | 20% | 0.2 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -53.8 | -41.1 | 179.1 | -178.7 | 0 | 0 | 0 | 0 | 111.9 | I64 E65 C68 E77 I78 R79 | I64-V75 HydrophobicContact CD1-CG1 4.29Å; I64-V75 HydrophobicContact CG1-CG1 4.3Å; I64-V75 HydrophobicContact CG2-CG1 4.05Å; E65-V75 HydrophobicContact CG-CG2 4.36Å; C68-V75 HydrophobicContact CB-CG2 3.75Å; V75-E77 VanDerWaalsContact C-N 3.27Å; V75-E77 PolarHBondContact O-N 2.87Å; V75-I78 PolarHBondContact O-N 2.94Å; V75-R79 HydrophobicContact CG1-CG 4.43Å; V75-R79 VanDerWaalsContact CG1-CZ 3.44Å; V75-R79 WeakPolarHBondContact O-CG 3.47Å; V75-R79 PolarHBondContact O-N 2.93Å |
| 76 | S | 93.6 | Very high | 92.3 | Very high | 84 Ų | 84 | 50.9 Ų | 50.9 | 59% | 0.587 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -62 | -32.2 | 177.5 | 54.7 | 0 | 0 | 0 | 0 | 113.6 | K74 R80 | K74-S76 PolarHBondContact O-N 2.78Å; S76-R80 PolarHBondContact O-N 2.76Å; S76-R80 VanDerWaalsContact O-N 3.12Å |
| 77 | E | 93.5 | Very high | 92.1 | Very high | 37 Ų | 37 | 54.3 Ų | 54.3 | 17% | 0.173 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -74.4 | -37.6 | 177.1 | -65.8 | -175 | 163.8 | 0 | 0 | 111.3 | K74 V75 R80 E81 R186 | K74-E77 HydrophobicContact CB-CB 4.23Å; K74-E77 HydrophobicContact CB-CG 3.91Å; K74-E77 HydrophobicContact CD-CG 4.37Å; K74-E77 WeakPolarHBondContact O-CB 3.37Å; K74-E77 PolarHBondContact O-N 3.04Å; V75-E77 VanDerWaalsContact C-N 3.27Å; V75-E77 PolarHBondContact O-N 2.87Å; E77-R80 PolarHBondContact O-N 2.87Å; E77-E81 PolarHBondContact O-N 3.12Å; E77-R186 IonicContact OE1-CZ 3.67Å; E77-R186 IonicContact OE1-NH1 3.83Å; E77-R186 PolarHBondContact OE1-NH1 3.24Å; E77-R186 IonicContact OE1-NH2 3.61Å; E77-R186 PolarHBondContact OE1-NH2 3.03Å; E77-R186 IonicContact OE2-CZ 3.5Å; E77-R186 IonicContact OE2-NH1 2.71Å; E77-R186 IonicContact OE2-NH2 3.33Å; E77-R186 PolarHBondContact OE2-NH2 2.99Å |
| 78 | I | 94.1 | Very high | 91.9 | Very high | 7 Ų | 7 | 56.6 Ų | 56.6 | 4% | 0.036 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -68.6 | -41.5 | 176.3 | -55.8 | -56.5 | 0 | 0 | 0 | 111.4 | I14 L18 I64 C68 L73 K74 V75 R80 E81 K82 | I14-I78 HydrophobicContact CD1-CD1 4.12Å; I14-I78 HydrophobicContact CG1-CD1 4.26Å; I14-I78 HydrophobicContact CG2-CD1 3.85Å; I14-I78 HydrophobicContact CG2-CG2 4.36Å; L18-I78 HydrophobicContact CD1-CG2 4.47Å; L18-I78 HydrophobicContact CD2-CG2 3.92Å; L18-I78 HydrophobicContact CG-CG2 4.43Å; I64-I78 HydrophobicContact CD1-CB 4.21Å; I64-I78 HydrophobicContact CD1-CG2 3.83Å; I64-I78 HydrophobicContact CG1-CG2 4.18Å; C68-I78 VanDerWaalsContact SG-CG1 3.54Å; L73-I78 HydrophobicContact CB-CD1 4.3Å; L73-I78 HydrophobicContact CB-CG1 4.25Å; L73-I78 HydrophobicContact CD1-CD1 3.91Å; L73-I78 HydrophobicContact CD1-CG1 4.43Å; K74-I78 PolarHBondContact O-N 3.27Å; V75-I78 PolarHBondContact O-N 2.94Å; I78-R80 VanDerWaalsContact C-N 3.34Å; I78-R80 PolarHBondContact O-N 3.18Å; I78-E81 PolarHBondContact O-N 3.46Å; I78-E81 VanDerWaalsContact O-N 3.12Å; I78-K82 PolarHBondContact O-N 3.21Å |
| 79 | R | 94.2 | Very high | 91.6 | Very high | 93 Ų | 93 | 64.5 Ų | 64.5 | 35% | 0.351 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -58.5 | -45.2 | 171.8 | -73.6 | 179.9 | 175.4 | 130.6 | 10.2 | 111.6 | E26 I64 E65 V75 E81 K82 D83 | E26-R79 WeakPolarHBondContact OE1-CD 3.43Å; E26-R79 WeakPolarHBondContact OE1-CG 3.5Å; E26-R79 IonicContact OE1-CZ 3.88Å; E26-R79 IonicContact OE1-NE 3.33Å; E26-R79 PolarHBondContact OE1-NE 3.23Å; E26-R79 IonicContact OE1-NH2 3.37Å; E26-R79 IonicContact OE2-CZ 2.69Å; E26-R79 IonicContact OE2-NE 2.76Å; E26-R79 PolarHBondContact OE2-NE 2.78Å; E26-R79 IonicContact OE2-NH2 2.87Å; E26-R79 PolarHBondContact OE2-NH2 2.71Å; I64-R79 HydrophobicContact CD1-CG 3.96Å; E65-R79 IonicContact OE1-CZ 2.66Å; E65-R79 IonicContact OE1-NH2 3.91Å; E65-R79 PolarHBondContact OE1-NH2 3.39Å; V75-R79 HydrophobicContact CG1-CG 4.43Å; V75-R79 VanDerWaalsContact CG1-CZ 3.44Å; V75-R79 WeakPolarHBondContact O-CG 3.47Å; V75-R79 PolarHBondContact O-N 2.93Å; R79-E81 VanDerWaalsContact C-N 3.28Å; R79-E81 PolarHBondContact O-N 3.02Å; R79-K82 VanDerWaalsContact O-CB 3.28Å; R79-K82 WeakPolarHBondContact O-CB 3.29Å; R79-K82 PolarHBondContact O-N 3.31Å; R79-D83 PolarHBondContact O-N 3.39Å |
| 80 | R | 92.7 | Very high | 91.5 | Very high | 77 Ų | 77 | 61.9 Ų | 61.9 | 29% | 0.291 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.6 | -39.3 | 174.9 | -173.8 | 176.5 | 66.5 | -179.9 | -0.5 | 111.6 | S76 E77 I78 K82 D83 E84 T147 | S76-R80 PolarHBondContact O-N 2.76Å; S76-R80 VanDerWaalsContact O-N 3.12Å; E77-R80 PolarHBondContact O-N 2.87Å; I78-R80 VanDerWaalsContact C-N 3.34Å; I78-R80 PolarHBondContact O-N 3.18Å; R80-K82 VanDerWaalsContact C-N 3.33Å; R80-D83 PolarHBondContact O-N 2.75Å; R80-E84 WeakPolarHBondContact O-CG 3.28Å; R80-E84 PolarHBondContact O-N 2.95Å; R80-E84 VanDerWaalsContact O-N 3.09Å; R80-T147 PolarHBondContact NH1-O 3.32Å |
| 81 | E | 93.7 | Very high | 91.5 | Very high | 9 Ų | 9 | 63.3 Ų | 63.3 | 4% | 0.042 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -67.6 | -34.1 | 178.2 | -158.8 | 61 | -161.1 | 0 | 0 | 112.6 | L18 E77 I78 R79 D83 E84 L85 K111 F170 | L18-E81 HydrophobicContact CD1-CB 4.25Å; L18-E81 HydrophobicContact CD1-CG 4.41Å; E77-E81 PolarHBondContact O-N 3.12Å; I78-E81 PolarHBondContact O-N 3.46Å; I78-E81 VanDerWaalsContact O-N 3.12Å; R79-E81 VanDerWaalsContact C-N 3.28Å; R79-E81 PolarHBondContact O-N 3.02Å; E81-D83 VanDerWaalsContact C-N 3.34Å; E81-D83 PolarHBondContact O-N 3.37Å; E81-E84 PolarHBondContact O-N 3.12Å; E81-L85 WeakPolarHBondContact O-CG 3.44Å; E81-L85 PolarHBondContact O-N 3.19Å; E81-K111 IonicContact OE2-NZ 2.77Å; E81-K111 PolarHBondContact OE2-NZ 3.37Å; E81-F170 HydrophobicContact CG-CD2 3.67Å; E81-F170 HydrophobicContact CG-CE2 4.02Å; E81-F170 HydrophobicContact CG-CG 4.05Å |
| 82 | K | 92.4 | Very high | 91.3 | Very high | 32 Ų | 32 | 67.6 Ų | 67.6 | 14% | 0.139 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -57.7 | -46 | 171.1 | -168.2 | 175 | 178 | 173.8 | 0 | 111.9 | L18 D21 S24 I78 R79 R80 E84 L85 K86 | L18-K82 HydrophobicContact CD1-CB 4.5Å; L18-K82 HydrophobicContact CD2-CB 3.79Å; L18-K82 HydrophobicContact CD2-CD 4.15Å; L18-K82 HydrophobicContact CD2-CG 4.02Å; D21-K82 IonicContact OD1-NZ 3.26Å; D21-K82 IonicContact OD2-NZ 2.63Å; D21-K82 PolarHBondContact OD2-NZ 2.93Å; S24-K82 VanDerWaalsContact CA-NZ 3.25Å; S24-K82 VanDerWaalsContact CB-NZ 3.29Å; S24-K82 WeakPolarHBondContact OG-CE 3.27Å; S24-K82 PolarHBondContact OG-NZ 2.94Å; I78-K82 PolarHBondContact O-N 3.21Å; R79-K82 VanDerWaalsContact O-CB 3.28Å; R79-K82 WeakPolarHBondContact O-CB 3.29Å; R79-K82 PolarHBondContact O-N 3.31Å; R80-K82 VanDerWaalsContact C-N 3.33Å; K82-E84 VanDerWaalsContact C-N 3.32Å; K82-E84 PolarHBondContact O-N 2.95Å; K82-L85 PolarHBondContact O-N 2.88Å; K82-K86 PolarHBondContact O-N 3.1Å |
| 83 | D | 91.9 | Very high | 91.1 | Very high | 95 Ų | 95 | 68.6 Ų | 68.6 | 51% | 0.508 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.3 | -39.7 | 177.3 | -69.8 | -28.8 | 0 | 0 | 0 | 111.9 | R79 R80 E81 K86 K87 | R79-D83 PolarHBondContact O-N 3.39Å; R80-D83 PolarHBondContact O-N 2.75Å; E81-D83 VanDerWaalsContact C-N 3.34Å; E81-D83 PolarHBondContact O-N 3.37Å; D83-K86 PolarHBondContact O-N 3.24Å; D83-K87 WeakPolarHBondContact O-CG 3.28Å; D83-K87 PolarHBondContact O-N 2.63Å |
| 84 | E | 92.1 | Very high | 91.1 | Very high | 14 Ų | 14 | 70 Ų | 70 | 7% | 0.065 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65.3 | -45 | 176.7 | -69.5 | -59.4 | 128.6 | 0 | 0 | 112.3 | R80 E81 K82 K86 K87 E88 S108 T110 | R80-E84 WeakPolarHBondContact O-CG 3.28Å; R80-E84 PolarHBondContact O-N 2.95Å; R80-E84 VanDerWaalsContact O-N 3.09Å; E81-E84 PolarHBondContact O-N 3.12Å; K82-E84 VanDerWaalsContact C-N 3.32Å; K82-E84 PolarHBondContact O-N 2.95Å; E84-K86 VanDerWaalsContact C-N 3.27Å; E84-K86 PolarHBondContact O-N 3.22Å; E84-K87 PolarHBondContact O-N 3.1Å; E84-K87 IonicContact OE1-NZ 2.76Å; E84-K87 PolarHBondContact OE1-NZ 3.4Å; E84-E88 PolarHBondContact O-N 3.48Å; E84-S108 WeakPolarHBondContact OE2-CB 3.45Å; E84-S108 PolarHBondContact OE2-OG 2.97Å; E84-T110 WeakPolarHBondContact OE2-CB 3.42Å |
| 85 | L | 89.1 | Confident | 91.1 | Very high | 22 Ų | 22 | 74 Ų | 74 | 12% | 0.115 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.3 | -38.1 | 174.5 | -72.4 | 175.7 | 0 | 0 | 0 | 111.9 | L18 E81 K82 E88 R89 | L18-L85 HydrophobicContact CB-CD1 3.94Å; L18-L85 HydrophobicContact CD1-CD1 3.61Å; L18-L85 HydrophobicContact CG-CD1 4.44Å; E81-L85 WeakPolarHBondContact O-CG 3.44Å; E81-L85 PolarHBondContact O-N 3.19Å; K82-L85 PolarHBondContact O-N 2.88Å; L85-E88 PolarHBondContact O-N 3.43Å; L85-R89 VanDerWaalsContact O-CG 3.32Å; L85-R89 WeakPolarHBondContact O-CG 3.24Å; L85-R89 PolarHBondContact O-N 3.31Å |
| 86 | K | 89.7 | Confident | 91.1 | Very high | 135 Ų | 135 | 75.3 Ų | 75.3 | 59% | 0.587 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -64.2 | -45.9 | 175.8 | -172.8 | 178.1 | -179.6 | 176.8 | 0 | 111.7 | K82 D83 E84 E88 R89 D90 | K82-K86 PolarHBondContact O-N 3.1Å; D83-K86 PolarHBondContact O-N 3.24Å; E84-K86 VanDerWaalsContact C-N 3.27Å; E84-K86 PolarHBondContact O-N 3.22Å; K86-E88 VanDerWaalsContact C-N 3.28Å; K86-E88 PolarHBondContact O-N 2.77Å; K86-R89 PolarHBondContact O-N 3.14Å; K86-D90 WeakPolarHBondContact O-CB 3.35Å; K86-D90 PolarHBondContact O-N 3.08Å |
| 87 | K | 90.6 | Very high | 91.1 | Very high | 84 Ų | 84 | 72.2 Ų | 72.2 | 37% | 0.365 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -59.1 | -40.9 | 175.9 | -69.7 | 171 | -168.2 | 169.4 | 0 | 111.8 | D83 E84 D90 G91 K92 | D83-K87 WeakPolarHBondContact O-CG 3.28Å; D83-K87 PolarHBondContact O-N 2.63Å; E84-K87 PolarHBondContact O-N 3.1Å; E84-K87 IonicContact OE1-NZ 2.76Å; E84-K87 PolarHBondContact OE1-NZ 3.4Å; K87-D90 PolarHBondContact O-N 2.91Å; K87-G91 PolarHBondContact O-N 3.13Å; K87-K92 PolarHBondContact O-N 3.38Å |
| 88 | E | 89.4 | Confident | 91.1 | Very high | 49 Ų | 49 | 75.1 Ų | 75.1 | 23% | 0.229 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -65.3 | -45.7 | 176.6 | -74.3 | -170.9 | 171.2 | 0 | 0 | 112.6 | E84 L85 K86 D90 G91 S108 K109 | E84-E88 PolarHBondContact O-N 3.48Å; L85-E88 PolarHBondContact O-N 3.43Å; K86-E88 VanDerWaalsContact C-N 3.28Å; K86-E88 PolarHBondContact O-N 2.77Å; E88-D90 PolarHBondContact O-N 3.2Å; E88-G91 PolarHBondContact O-N 3.26Å; E88-S108 WeakPolarHBondContact OE1-CA 3.34Å; E88-S108 VanDerWaalsContact OE1-CB 3.28Å; E88-S108 WeakPolarHBondContact OE1-CB 3.38Å; E88-K109 HydrophobicContact CG-CB 4.46Å; E88-K109 PolarHBondContact OE1-N 3.47Å |
| 89 | R | 87.7 | Confident | 91.2 | Very high | 166 Ų | 166 | 80.1 Ų | 80.1 | 63% | 0.626 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -59 | -38.4 | 176.1 | -75 | 178.4 | -172.6 | -167.2 | 4.8 | 112 | L85 K86 G91 | L85-R89 VanDerWaalsContact O-CG 3.32Å; L85-R89 WeakPolarHBondContact O-CG 3.24Å; L85-R89 PolarHBondContact O-N 3.31Å; K86-R89 PolarHBondContact O-N 3.14Å; R89-G91 PolarHBondContact O-N 2.58Å |
| 90 | D | 90.9 | Very high | 91.3 | Very high | 84 Ų | 84 | 76.7 Ų | 76.7 | 45% | 0.449 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -4.9 | 176 | -73.6 | -0.4 | 0 | 0 | 0 | 113.4 | K86 K87 E88 K92 | K86-D90 WeakPolarHBondContact O-CB 3.35Å; K86-D90 PolarHBondContact O-N 3.08Å; K87-D90 PolarHBondContact O-N 2.91Å; E88-D90 PolarHBondContact O-N 3.2Å; D90-K92 HydrophobicContact CB-CB 4.42Å; D90-K92 HydrophobicContact CB-CD 3.83Å; D90-K92 HydrophobicContact CB-CG 3.88Å; D90-K92 PolarHBondContact O-N 3.06Å; D90-K92 IonicContact OD2-NZ 2.68Å; D90-K92 PolarHBondContact OD2-NZ 2.86Å |
| 91 | G | 88.4 | Confident | 91.5 | Very high | 50 Ų | 50 | 78 Ų | 78 | 52% | 0.515 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67 | 17.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | K87 E88 R89 F93 | K87-G91 PolarHBondContact O-N 3.13Å; E88-G91 PolarHBondContact O-N 3.26Å; R89-G91 PolarHBondContact O-N 2.58Å; G91-F93 VanDerWaalsContact C-N 3.32Å; G91-F93 PolarHBondContact O-N 3.49Å; G91-F93 VanDerWaalsContact O-N 3.16Å |
| 92 | K | 85.7 | Confident | 91.6 | Very high | 140 Ų | 140 | 79.1 Ų | 79.1 | 61% | 0.609 | 39% | 0.393 | S | S | * | . | trans | -90.2 | 60.7 | -176.4 | -67.5 | 173.4 | -174.4 | 151.2 | 0 | 111.2 | K87 D90 | K87-K92 PolarHBondContact O-N 3.38Å; D90-K92 HydrophobicContact CB-CB 4.42Å; D90-K92 HydrophobicContact CB-CD 3.83Å; D90-K92 HydrophobicContact CB-CG 3.88Å; D90-K92 PolarHBondContact O-N 3.06Å; D90-K92 IonicContact OD2-NZ 2.68Å; D90-K92 PolarHBondContact OD2-NZ 2.86Å | ||
| 93 | F | 85.9 | Confident | 91.7 | Very high | 94 Ų | 94 | 79.4 Ų | 79.4 | 41% | 0.412 | 40% | 0.396 | S | S | . | . | trans | -128.8 | 141.7 | 173.2 | 55.7 | -92.4 | 0 | 0 | 0 | 111.6 | G91 K109 | G91-F93 VanDerWaalsContact C-N 3.32Å; G91-F93 PolarHBondContact O-N 3.49Å; G91-F93 VanDerWaalsContact O-N 3.16Å; F93-K109 HydrophobicContact CB-CB 3.85Å; F93-K109 HydrophobicContact CD1-CB 4.26Å; F93-K109 HydrophobicContact CD2-CB 3.83Å; F93-K109 HydrophobicContact CD2-CG 4.28Å; F93-K109 HydrophobicContact CE2-CB 4.46Å; F93-K109 HydrophobicContact CE2-CG 4.42Å; F93-K109 HydrophobicContact CG-CB 3.72Å; F93-K109 HydrophobicContact CG-CG 4.37Å | ||
| 94 | P | 90.2 | Very high | 91.9 | Very high | 56 Ų | 56 | 75.8 Ų | 75.8 | 36% | 0.364 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 155.4 | 178.8 | -17.3 | 31.7 | 0 | 0 | 0 | 112.2 | Y113 | P94-Y113 HydrophobicContact CB-CD1 3.77Å; P94-Y113 HydrophobicContact CB-CD2 3.64Å; P94-Y113 HydrophobicContact CB-CE1 3.8Å; P94-Y113 HydrophobicContact CB-CE2 3.66Å; P94-Y113 HydrophobicContact CB-CG 3.68Å; P94-Y113 HydrophobicContact CG-CD1 3.64Å; P94-Y113 HydrophobicContact CG-CD2 4.41Å; P94-Y113 HydrophobicContact CG-CE1 3.82Å; P94-Y113 HydrophobicContact CG-CG 3.96Å |
| 95 | K | 92.7 | Very high | 92 | Very high | 192 Ų | 192 | 75.8 Ų | 75.8 | 84% | 0.835 | 38% | 0.382 | S | S | * | . | P | Polyproline II helix | trans | -75.4 | 140 | 171.8 | -66.6 | -173.6 | -178.9 | 179.7 | 0 | 110.3 | Y113 | K95-Y113 WeakPolarHBondContact O-CD2 3.19Å; K95-Y113 WeakPolarHBondContact O-CE2 3.44Å |
| 96 | L | 95.4 | Very high | 92.3 | Very high | 61 Ų | 61 | 74.8 Ų | 74.8 | 32% | 0.319 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 147.6 | 175.9 | -69.5 | 170.8 | 0 | 0 | 0 | 111.6 | I100 I102 C116 | L96-I100 HydrophobicContact CD1-CG2 4.44Å; L96-I102 HydrophobicContact CD1-CD1 3.91Å; L96-I102 HydrophobicContact CD1-CG1 3.51Å; L96-I102 HydrophobicContact CD2-CD1 4.5Å; L96-C116 HydrophobicContact CD2-CB 4.03Å |
| 97 | P | 93.7 | Very high | 92.5 | Very high | 19 Ų | 19 | 68.6 Ų | 68.6 | 12% | 0.123 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -55.7 | 154.4 | 172.7 | -24.9 | 33.6 | 0 | 0 | 0 | 112.8 | I100 C117 K120 | P97-I100 HydrophobicContact CB-CD1 4.02Å; P97-I100 HydrophobicContact CB-CG1 4.38Å; P97-I100 HydrophobicContact CG-CD1 3.98Å; P97-I100 PolarHBondContact O-N 2.83Å; P97-C117 WeakPolarHBondContact CG-SG 3.43Å; P97-K120 HydrophobicContact CB-CD 3.93Å |
| 98 | P | 93 | Very high | 92.7 | Very high | 99 Ų | 99 | 64.7 Ų | 64.7 | 64% | 0.643 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | 148 | 171.9 | -23.5 | 33.4 | 0 | 0 | 0 | 112.3 | I100 | P98-I100 PolarHBondContact O-N 3.09Š|
| 99 | N | 95 | Very high | 92.9 | Very high | 111 Ų | 111 | 66.4 Ų | 66.4 | 59% | 0.594 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.6 | 14.1 | -179.8 | -49.8 | -17 | 0 | 0 | 0 | 115.4 | Y177 N178 | N99-Y177 HydrophobicContact CB-CD2 4.28Å; N99-Y177 HydrophobicContact CB-CE2 4.13Å; N99-Y177 WeakPolarHBondContact O-CA 3.3Å; N99-N178 VanDerWaalsContact CB-OD1 3.26Å; N99-N178 WeakPolarHBondContact CB-OD1 3.17Å; N99-N178 PolarHBondContact ND2-OD1 3.16Å; N99-N178 PolarHBondContact O-N 3.23Å |
| 100 | I | 97.3 | Very high | 93.2 | Very high | 21 Ų | 21 | 59.2 Ų | 59.2 | 11% | 0.108 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 127 | 168.5 | -66.9 | -169.8 | 0 | 0 | 0 | 109.9 | L96 P97 P98 I102 C116 K120 F175 K176 Y177 | L96-I100 HydrophobicContact CD1-CG2 4.44Å; P97-I100 HydrophobicContact CB-CD1 4.02Å; P97-I100 HydrophobicContact CB-CG1 4.38Å; P97-I100 HydrophobicContact CG-CD1 3.98Å; P97-I100 PolarHBondContact O-N 2.83Å; P98-I100 PolarHBondContact O-N 3.09Å; I100-I102 HydrophobicContact CG2-CD1 4.46Å; I100-C116 HydrophobicContact CD1-CB 3.53Å; I100-C116 WeakPolarHBondContact CD1-O 3.38Å; I100-C116 HydrophobicContact CG2-CB 4.17Å; I100-K120 HydrophobicContact CD1-CB 4.46Å; I100-F175 HydrophobicContact CG2-CD2 4.2Å; I100-K176 VanDerWaalsContact CA-O 3.28Å; I100-K176 WeakPolarHBondContact CA-O 3.41Å; I100-Y177 HydrophobicContact CD1-CD2 4.37Å; I100-Y177 HydrophobicContact CG1-CD2 3.71Å; I100-Y177 HydrophobicContact CG1-CG 4.3Å |
| 101 | E | 96.1 | Very high | 93.5 | Very high | 105 Ų | 105 | 55.4 Ų | 55.4 | 49% | 0.491 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 119.7 | 174.8 | -177.2 | -178 | -178.1 | 0 | 0 | 108.8 | I103 F175 K176 | E101-I103 PolarHBondContact O-N 3.07Å; E101-F175 CarbonylContact O-C 3.53Å; E101-F175 VanDerWaalsContact O-CA 3.25Å; E101-F175 WeakPolarHBondContact O-CA 3.21Å; E101-F175 WeakPolarHBondContact O-CB 2.79Å; E101-K176 HydrophobicContact CB-CB 4.44Å; E101-K176 PolarHBondContact N-O 3.48Å; E101-K176 PolarHBondContact O-N 3.47Å |
| 102 | I | 96.2 | Very high | 93.9 | Very high | 32 Ų | 32 | 53.3 Ų | 53.3 | 16% | 0.164 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 125.3 | 172.5 | -56.4 | -59.4 | 0 | 0 | 0 | 108.5 | L96 I100 A105 I173 F175 | L96-I102 HydrophobicContact CD1-CD1 3.91Å; L96-I102 HydrophobicContact CD1-CG1 3.51Å; L96-I102 HydrophobicContact CD2-CD1 4.5Å; I100-I102 HydrophobicContact CG2-CD1 4.46Å; I102-A105 HydrophobicContact CG2-CB 3.98Å; I102-I173 HydrophobicContact CD1-CD1 4.46Å; I102-F175 HydrophobicContact CD1-CB 3.82Å |
| 103 | I | 95.4 | Very high | 94.4 | Very high | 39 Ų | 39 | 50.4 Ų | 50.4 | 20% | 0.2 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | -46.5 | 176.8 | -57.5 | 168.4 | 0 | 0 | 0 | 110.1 | T3 E101 Y161 Q174 K176 V181 | T3-I103 PolarHBondContact OG1-O 3.43Å; T3-I103 VanDerWaalsContact OG1-O 3.07Å; E101-I103 PolarHBondContact O-N 3.07Å; I103-Y161 HydrophobicContact CD1-CE1 4.2Å; I103-Y161 WeakPolarHBondContact CG2-OH 3.13Å; I103-Q174 HydrophobicContact CB-CB 4.12Å; I103-Q174 PolarHBondContact N-O 3.49Å; I103-K176 HydrophobicContact CD1-CB 4.33Å; I103-V181 HydrophobicContact CD1-CG1 3.85Å; I103-V181 HydrophobicContact CD1-CG2 4.36Å |
| 104 | A | 94.7 | Very high | 94.9 | Very high | 19 Ų | 19 | 50 Ų | 50 | 16% | 0.157 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 143.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | T5 I173 Q174 | T5-A104 HydrophobicContact CG2-CB 4.45Å; T5-A104 VanDerWaalsContact OG1-CA 3.32Å; T5-A104 WeakPolarHBondContact OG1-CA 3.37Å; A104-I173 CarbonylContact O-C 3.58Å; A104-Q174 HydrophobicContact CB-CB 4.35Å; A104-Q174 HydrophobicContact CB-CG 4.5Å; A104-Q174 PolarHBondContact N-O 3.08Å; A104-Q174 WeakPolarHBondContact O-CA 3.39Å; A104-Q174 PolarHBondContact O-N 2.95Å |
| 105 | A | 95.5 | Very high | 95.3 | Very high | 13 Ų | 13 | 47.5 Ų | 47.5 | 11% | 0.107 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 136.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | T5 I102 Q112 S172 I173 | T5-A105 WeakPolarHBondContact CG2-O 3.29Å; T5-A105 PolarHBondContact OG1-N 2.97Å; I102-A105 HydrophobicContact CG2-CB 3.98Å; A105-Q112 HydrophobicContact CB-CG 4.09Å; A105-S172 WeakPolarHBondContact CA-O 3.4Å; A105-I173 HydrophobicContact CB-CB 4.38Å; A105-I173 HydrophobicContact CB-CG1 4Å |
| 106 | T | 94.9 | Very high | 95.5 | Very high | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.012 | 20% | 0.2 | C | C | . | . | trans | -99.1 | -13.8 | 170.3 | 65.4 | 0 | 0 | 0 | 0 | 113 | T5 L7 E11 F170 L171 S172 | T5-T106 HydrophobicContact CG2-CG2 3.82Å; L7-T106 HydrophobicContact CD2-CG2 4.19Å; E11-T106 WeakPolarHBondContact OE1-CB 3.47Å; E11-T106 WeakPolarHBondContact OE1-CG2 3.14Å; E11-T106 PolarHBondContact OE1-OG1 3.43Å; E11-T106 VanDerWaalsContact OE1-OG1 3.14Å; T106-F170 WeakPolarHBondContact O-CD1 3.34Å; T106-F170 WeakPolarHBondContact OG1-CA 3.48Å; T106-L171 PolarHBondContact OG1-N 3.16Å; T106-S172 PolarHBondContact N-O 3.28Å; T106-S172 PolarHBondContact OG1-N 3.28Å; T106-S172 PolarHBondContact OG1-OG 2.99Å; T106-S172 VanDerWaalsContact OG1-OG 3.13Å | ||
| 107 | M | 94.4 | Very high | 95.6 | Very high | 4 Ų | 4 | 37.1 Ų | 37.1 | 2% | 0.02 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -71.7 | 160.3 | 176.5 | -35.5 | -172.8 | 63.8 | 0 | 0 | 112.1 | K111 Q112 I115 Y148 W152 F170 L171 S172 I173 | M107-K111 HydrophobicContact CB-CB 4.2Å; M107-K111 HydrophobicContact CB-CD 4.29Å; M107-K111 HydrophobicContact CE-CB 4.13Å; M107-K111 HydrophobicContact CE-CD 3.92Å; M107-Q112 PolarHBondContact O-NE2 3.34Å; M107-I115 HydrophobicContact CE-CD1 3.79Å; M107-I115 HydrophobicContact SD-CD1 3.52Å; M107-I115 VanDerWaalsContact SD-CD1 3.52Å; M107-Y148 HydrophobicContact CE-CD2 4.16Å; M107-Y148 HydrophobicContact CE-CE2 4.24Å; M107-Y148 HydrophobicContact CE-CG 4.48Å; M107-W152 HydrophobicContact CE-CH2 3.67Å; M107-W152 HydrophobicContact CE-CZ2 4.16Å; M107-W152 HydrophobicContact SD-CH2 3.76Å; M107-W152 HydrophobicContact SD-CZ3 4.39Å; M107-F170 VanDerWaalsContact CA-O 3.29Å; M107-F170 WeakPolarHBondContact CA-O 3.45Å; M107-F170 WeakPolarHBondContact CB-O 3.25Å; M107-F170 VanDerWaalsContact CG-O 3.25Å; M107-F170 WeakPolarHBondContact CG-O 3Å; M107-L171 HydrophobicContact CE-CD2 3.91Å; M107-S172 VanDerWaalsContact CG-O 3.28Å; M107-S172 WeakPolarHBondContact CG-O 3.46Å; M107-I173 HydrophobicContact CG-CB 4.48Å; M107-I173 HydrophobicContact SD-CB 4.08Å; M107-I173 HydrophobicContact SD-CG2 4.1Å |
| 108 | S | 93.8 | Very high | 95.8 | Very high | 3 Ų | 3 | 39.3 Ų | 39.3 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | trans | -63.1 | 157.2 | 174.5 | 72.5 | 0 | 0 | 0 | 0 | 113.8 | E84 E88 T110 K111 Q112 | E84-S108 WeakPolarHBondContact OE2-CB 3.45Å; E84-S108 PolarHBondContact OE2-OG 2.97Å; E88-S108 WeakPolarHBondContact OE1-CA 3.34Å; E88-S108 VanDerWaalsContact OE1-CB 3.28Å; E88-S108 WeakPolarHBondContact OE1-CB 3.38Å; S108-T110 VanDerWaalsContact C-N 3.28Å; S108-T110 PolarHBondContact O-N 3.47Å; S108-K111 PolarHBondContact O-N 3.29Å; S108-K111 WeakPolarHBondContact OG-CG 3.29Å; S108-K111 PolarHBondContact OG-N 3.43Å; S108-Q112 VanDerWaalsContact O-CG 3.3Å; S108-Q112 WeakPolarHBondContact O-CG 3.46Å; S108-Q112 PolarHBondContact O-N 3.49Å | ||
| 109 | K | 94.4 | Very high | 96 | Very high | 84 Ų | 84 | 34.6 Ų | 34.6 | 37% | 0.365 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -59.4 | -36.2 | 177.9 | -67.6 | -68.6 | 167.6 | -165 | 0 | 112.9 | E88 F93 Q112 Y113 | E88-K109 HydrophobicContact CG-CB 4.46Å; E88-K109 PolarHBondContact OE1-N 3.47Å; F93-K109 HydrophobicContact CB-CB 3.85Å; F93-K109 HydrophobicContact CD1-CB 4.26Å; F93-K109 HydrophobicContact CD2-CB 3.83Å; F93-K109 HydrophobicContact CD2-CG 4.28Å; F93-K109 HydrophobicContact CE2-CB 4.46Å; F93-K109 HydrophobicContact CE2-CG 4.42Å; F93-K109 HydrophobicContact CG-CB 3.72Å; F93-K109 HydrophobicContact CG-CG 4.37Å; K109-Q112 PolarHBondContact O-N 2.99Å; K109-Y113 PolarHBondContact O-N 2.92Å |
| 110 | T | 94.6 | Very high | 96.1 | Very high | 15 Ų | 15 | 32.1 Ų | 32.1 | 9% | 0.092 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.7 | -50.3 | 174.9 | -49 | 0 | 0 | 0 | 0 | 110.8 | E84 S108 Q112 Y113 E114 | E84-T110 WeakPolarHBondContact OE2-CB 3.42Å; S108-T110 VanDerWaalsContact C-N 3.28Å; S108-T110 PolarHBondContact O-N 3.47Å; T110-Q112 VanDerWaalsContact C-N 3.34Å; T110-Q112 PolarHBondContact O-N 3.35Å; T110-Y113 WeakPolarHBondContact O-CB 3.25Å; T110-Y113 PolarHBondContact O-N 2.89Å; T110-E114 WeakPolarHBondContact O-CG 3.46Å; T110-E114 PolarHBondContact O-N 3.43Å |
| 111 | K | 95.8 | Very high | 96.1 | Very high | 4 Ų | 4 | 35.9 Ų | 35.9 | 2% | 0.017 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.7 | -41.4 | 176.5 | -65.6 | 170.3 | -172.6 | 160.9 | 0 | 111.4 | E81 M107 S108 Y113 E114 I115 Y148 | E81-K111 IonicContact OE2-NZ 2.77Å; E81-K111 PolarHBondContact OE2-NZ 3.37Å; M107-K111 HydrophobicContact CB-CB 4.2Å; M107-K111 HydrophobicContact CB-CD 4.29Å; M107-K111 HydrophobicContact CE-CB 4.13Å; M107-K111 HydrophobicContact CE-CD 3.92Å; S108-K111 PolarHBondContact O-N 3.29Å; S108-K111 WeakPolarHBondContact OG-CG 3.29Å; S108-K111 PolarHBondContact OG-N 3.43Å; K111-Y113 VanDerWaalsContact C-N 3.31Å; K111-Y113 PolarHBondContact O-N 2.91Å; K111-E114 PolarHBondContact O-N 3.31Å; K111-I115 WeakPolarHBondContact O-CB 3.5Å; K111-I115 VanDerWaalsContact O-CG1 3.23Å; K111-I115 WeakPolarHBondContact O-CG1 3.31Å; K111-I115 PolarHBondContact O-N 3.4Å; K111-Y148 HydrophobicContact CD-CE1 4.24Å; K111-Y148 HydrophobicContact CG-CE1 3.99Å |
| 112 | Q | 96.8 | Very high | 96.2 | Very high | 6 Ų | 6 | 33.3 Ų | 33.3 | 3% | 0.028 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -55.3 | -47.7 | 174.8 | -71.6 | 171 | 34.6 | 0 | 0 | 110.8 | A105 M107 S108 K109 T110 C116 I173 | A105-Q112 HydrophobicContact CB-CG 4.09Å; M107-Q112 PolarHBondContact O-NE2 3.34Å; S108-Q112 VanDerWaalsContact O-CG 3.3Å; S108-Q112 WeakPolarHBondContact O-CG 3.46Å; S108-Q112 PolarHBondContact O-N 3.49Å; K109-Q112 PolarHBondContact O-N 2.99Å; T110-Q112 VanDerWaalsContact C-N 3.34Å; T110-Q112 PolarHBondContact O-N 3.35Å; Q112-C116 WeakPolarHBondContact O-CB 3.33Å; Q112-C116 PolarHBondContact O-N 3.24Å; Q112-C116 PolarHBondContact O-SG 2.86Å; Q112-I173 HydrophobicContact CB-CD1 4.11Å; Q112-I173 HydrophobicContact CG-CD1 3.9Å; Q112-I173 HydrophobicContact CG-CG1 4.48Å |
| 113 | Y | 96.4 | Very high | 96.2 | Very high | 79 Ų | 79 | 31.8 Ų | 31.8 | 31% | 0.31 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -59.9 | -50.4 | 177 | 170.5 | -96.6 | 0 | 0 | 0 | 112.5 | P94 K95 K109 T110 K111 I115 C116 C117 | P94-Y113 HydrophobicContact CB-CD1 3.77Å; P94-Y113 HydrophobicContact CB-CD2 3.64Å; P94-Y113 HydrophobicContact CB-CE1 3.8Å; P94-Y113 HydrophobicContact CB-CE2 3.66Å; P94-Y113 HydrophobicContact CB-CG 3.68Å; P94-Y113 HydrophobicContact CG-CD1 3.64Å; P94-Y113 HydrophobicContact CG-CD2 4.41Å; P94-Y113 HydrophobicContact CG-CE1 3.82Å; P94-Y113 HydrophobicContact CG-CG 3.96Å; K95-Y113 WeakPolarHBondContact O-CD2 3.19Å; K95-Y113 WeakPolarHBondContact O-CE2 3.44Å; K109-Y113 PolarHBondContact O-N 2.92Å; T110-Y113 WeakPolarHBondContact O-CB 3.25Å; T110-Y113 PolarHBondContact O-N 2.89Å; K111-Y113 VanDerWaalsContact C-N 3.31Å; K111-Y113 PolarHBondContact O-N 2.91Å; Y113-I115 PolarHBondContact O-N 2.63Å; Y113-C116 PolarHBondContact O-N 3.09Å; Y113-C117 WeakPolarHBondContact CE2-SG 3.22Å; Y113-C117 WeakPolarHBondContact O-CB 3.45Å; Y113-C117 PolarHBondContact O-N 2.9Å; Y113-C117 PolarHBondContact O-SG 2.94Å; Y113-C117 VanDerWaalsContact O-SG 3.33Å |
| 114 | E | 96.3 | Very high | 96.1 | Very high | 87 Ų | 87 | 32.9 Ų | 32.9 | 41% | 0.407 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -57 | -49.1 | -179.7 | -70.1 | 168.2 | 178.5 | 0 | 0 | 111.5 | T110 K111 C116 C117 Q118 Y148 | T110-E114 WeakPolarHBondContact O-CG 3.46Å; T110-E114 PolarHBondContact O-N 3.43Å; K111-E114 PolarHBondContact O-N 3.31Å; E114-C116 PolarHBondContact O-N 3.47Å; E114-C117 PolarHBondContact O-N 3.47Å; E114-Q118 WeakPolarHBondContact O-CG 3.49Å; E114-Q118 PolarHBondContact O-N 3.3Å; E114-Q118 VanDerWaalsContact O-N 3.08Å; E114-Y148 PolarHBondContact OE2-OH 3.48Å |
| 115 | I | 98 | Very high | 96.1 | Very high | 3 Ų | 3 | 38 Ų | 38 | 2% | 0.015 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63 | -44.6 | 179.4 | -65.9 | 170.9 | 0 | 0 | 0 | 110.9 | M107 K111 Y113 Q118 F119 M140 L144 Y148 I173 F175 | M107-I115 HydrophobicContact CE-CD1 3.79Å; M107-I115 HydrophobicContact SD-CD1 3.52Å; M107-I115 VanDerWaalsContact SD-CD1 3.52Å; K111-I115 WeakPolarHBondContact O-CB 3.5Å; K111-I115 VanDerWaalsContact O-CG1 3.23Å; K111-I115 WeakPolarHBondContact O-CG1 3.31Å; K111-I115 PolarHBondContact O-N 3.4Å; Y113-I115 PolarHBondContact O-N 2.63Å; I115-Q118 PolarHBondContact O-N 3.02Å; I115-F119 WeakPolarHBondContact O-CB 3.38Å; I115-F119 PolarHBondContact O-N 3.4Å; I115-M140 HydrophobicContact CG2-CE 3.75Å; I115-L144 HydrophobicContact CD1-CD2 3.64Å; I115-L144 HydrophobicContact CG1-CD2 3.76Å; I115-L144 HydrophobicContact CG2-CD2 4.49Å; I115-Y148 HydrophobicContact CD1-CE2 3.89Å; I115-Y148 HydrophobicContact CG1-CE2 4.01Å; I115-I173 HydrophobicContact CB-CD1 4.42Å; I115-I173 HydrophobicContact CD1-CG2 4.27Å; I115-I173 HydrophobicContact CG2-CD1 4.27Å; I115-I173 HydrophobicContact CG2-CG2 4.31Å; I115-F175 HydrophobicContact CG2-CE1 4.07Å; I115-F175 HydrophobicContact CG2-CZ 4.42Å |
| 116 | C | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.2 | -41.2 | -179.2 | -76.8 | 0 | 0 | 0 | 0 | 112.3 | L96 I100 Q112 Y113 E114 K120 | L96-C116 HydrophobicContact CD2-CB 4.03Å; I100-C116 HydrophobicContact CD1-CB 3.53Å; I100-C116 WeakPolarHBondContact CD1-O 3.38Å; I100-C116 HydrophobicContact CG2-CB 4.17Å; Q112-C116 WeakPolarHBondContact O-CB 3.33Å; Q112-C116 PolarHBondContact O-N 3.24Å; Q112-C116 PolarHBondContact O-SG 2.86Å; Y113-C116 PolarHBondContact O-N 3.09Å; E114-C116 PolarHBondContact O-N 3.47Å; C116-K120 WeakPolarHBondContact O-CB 3.38Å; C116-K120 PolarHBondContact O-N 2.84Å |
| 117 | C | 97.3 | Very high | 95.8 | Very high | 34 Ų | 34 | 43.8 Ų | 43.8 | 23% | 0.23 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.4 | -48.3 | 175.5 | -75.7 | 0 | 0 | 0 | 0 | 111.6 | P97 Y113 E114 K120 E121 | P97-C117 WeakPolarHBondContact CG-SG 3.43Å; Y113-C117 WeakPolarHBondContact CE2-SG 3.22Å; Y113-C117 WeakPolarHBondContact O-CB 3.45Å; Y113-C117 PolarHBondContact O-N 2.9Å; Y113-C117 PolarHBondContact O-SG 2.94Å; Y113-C117 VanDerWaalsContact O-SG 3.33Å; E114-C117 PolarHBondContact O-N 3.47Å; C117-K120 PolarHBondContact O-N 2.86Å; C117-E121 PolarHBondContact O-N 2.73Å |
| 118 | Q | 97.8 | Very high | 95.5 | Very high | 66 Ų | 66 | 48.4 Ų | 48.4 | 31% | 0.308 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63.1 | -43.6 | 178.8 | -71.5 | -65.1 | -29.2 | 0 | 0 | 111.9 | E114 I115 K120 E121 Y122 L143 | E114-Q118 WeakPolarHBondContact O-CG 3.49Å; E114-Q118 PolarHBondContact O-N 3.3Å; E114-Q118 VanDerWaalsContact O-N 3.08Å; I115-Q118 PolarHBondContact O-N 3.02Å; Q118-K120 PolarHBondContact O-N 2.95Å; Q118-E121 PolarHBondContact O-N 3.35Å; Q118-Y122 PolarHBondContact O-N 3.02Å; Q118-L143 HydrophobicContact CB-CD2 3.63Å; Q118-L143 HydrophobicContact CG-CD2 3.83Å |
| 119 | F | 98.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.2 | -45.7 | 176.1 | -178 | -99.7 | 0 | 0 | 0 | 112.3 | I115 E121 Y122 V123 V136 M140 L156 F175 Y177 C182 | I115-F119 WeakPolarHBondContact O-CB 3.38Å; I115-F119 PolarHBondContact O-N 3.4Å; F119-E121 VanDerWaalsContact C-N 3.34Å; F119-E121 PolarHBondContact O-N 2.89Å; F119-Y122 PolarHBondContact O-N 2.84Å; F119-V123 HydrophobicContact CD1-CG2 4.07Å; F119-V123 HydrophobicContact CD2-CG2 4.41Å; F119-V123 HydrophobicContact CE1-CG2 3.61Å; F119-V123 HydrophobicContact CE2-CG2 3.97Å; F119-V123 HydrophobicContact CG-CG2 4.48Å; F119-V123 HydrophobicContact CZ-CG2 3.56Å; F119-V123 WeakPolarHBondContact O-CG2 3.36Å; F119-V123 PolarHBondContact O-N 2.62Å; F119-V136 HydrophobicContact CD2-CG1 4.07Å; F119-V136 HydrophobicContact CE2-CG1 3.76Å; F119-M140 HydrophobicContact CB-CE 4.09Å; F119-M140 HydrophobicContact CB-SD 3.91Å; F119-M140 HydrophobicContact CD2-CE 4.43Å; F119-M140 HydrophobicContact CD2-CG 3.79Å; F119-M140 HydrophobicContact CD2-SD 3.94Å; F119-M140 HydrophobicContact CE2-CG 4.47Å; F119-M140 HydrophobicContact CG-SD 4.46Å; F119-L156 HydrophobicContact CE2-CD1 3.93Å; F119-L156 HydrophobicContact CE2-CD2 3.49Å; F119-L156 VanDerWaalsContact CE2-CD2 3.49Å; F119-L156 HydrophobicContact CE2-CG 4.39Å; F119-L156 HydrophobicContact CZ-CD1 4.44Å; F119-L156 HydrophobicContact CZ-CD2 3.94Å; F119-F175 HydrophobicContact CB-CE2 3.95Å; F119-F175 HydrophobicContact CB-CZ 3.62Å; F119-F175 AromaticContact CD1-CE2 3.46Å; F119-F175 HydrophobicContact CD1-CE2 3.46Å; F119-F175 VanDerWaalsContact CD1-CE2 3.46Å; F119-F175 AromaticContact CD1-CZ 3.79Å; F119-F175 HydrophobicContact CD1-CZ 3.79Å; F119-F175 HydrophobicContact CD2-CZ 4.2Å; F119-F175 HydrophobicContact CE1-CE2 4.12Å; F119-F175 AromaticContact CG-CE2 3.77Å; F119-F175 HydrophobicContact CG-CE2 3.77Å; F119-F175 AromaticContact CG-CZ 3.58Å; F119-F175 HydrophobicContact CG-CZ 3.58Å; F119-Y177 HydrophobicContact CD1-CD1 4.41Å; F119-Y177 HydrophobicContact CE1-CD1 4.32Å; F119-C182 HydrophobicContact CD2-CB 4.35Å; F119-C182 HydrophobicContact CE1-CB 4.39Å; F119-C182 HydrophobicContact CE2-CB 3.99Å; F119-C182 HydrophobicContact CZ-CB 3.99Å |
| 120 | K | 97 | Very high | 94.8 | Very high | 58 Ų | 58 | 50.3 Ų | 50.3 | 25% | 0.252 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -58.5 | -47.1 | 177.1 | 167.9 | 169.1 | 166.2 | 43.7 | 0 | 111.3 | P97 I100 C116 C117 Q118 Y122 V123 D124 Y177 | P97-K120 HydrophobicContact CB-CD 3.93Å; I100-K120 HydrophobicContact CD1-CB 4.46Å; C116-K120 WeakPolarHBondContact O-CB 3.38Å; C116-K120 PolarHBondContact O-N 2.84Å; C117-K120 PolarHBondContact O-N 2.86Å; Q118-K120 PolarHBondContact O-N 2.95Å; K120-Y122 VanDerWaalsContact C-N 3.35Å; K120-Y122 PolarHBondContact O-N 3.41Å; K120-V123 PolarHBondContact O-N 2.72Å; K120-D124 IonicContact NZ-OD2 2.55Å; K120-D124 PolarHBondContact NZ-OD2 3Å; K120-D124 WeakPolarHBondContact O-CB 3.34Å; K120-D124 PolarHBondContact O-N 3.03Å; K120-Y177 HydrophobicContact CB-CD1 4.49Å; K120-Y177 HydrophobicContact CB-CE1 4.24Å; K120-Y177 HydrophobicContact CD-CE2 4.03Å; K120-Y177 HydrophobicContact CG-CE1 4Å; K120-Y177 HydrophobicContact CG-CE2 4.24Å; K120-Y177 PolarHBondContact NZ-OH 3.2Å |
| 121 | E | 96.8 | Very high | 94.6 | Very high | 100 Ų | 100 | 55 Ų | 55 | 47% | 0.467 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -58.8 | -45.9 | 177.5 | -176.7 | 178.3 | 173.6 | 0 | 0 | 111.6 | C117 Q118 F119 V123 D124 N125 | C117-E121 PolarHBondContact O-N 2.73Å; Q118-E121 PolarHBondContact O-N 3.35Å; F119-E121 VanDerWaalsContact C-N 3.34Å; F119-E121 PolarHBondContact O-N 2.89Å; E121-V123 PolarHBondContact O-N 3Å; E121-D124 PolarHBondContact O-N 3.36Å; E121-N125 WeakPolarHBondContact O-CB 3.37Å; E121-N125 PolarHBondContact O-N 2.95Å; E121-N125 VanDerWaalsContact O-N 3.17Å; E121-N125 PolarHBondContact O-ND2 3.05Å; E121-N125 VanDerWaalsContact O-ND2 3.08Å |
| 122 | Y | 97.2 | Very high | 94.5 | Very high | 51 Ų | 51 | 56.4 Ų | 56.4 | 20% | 0.2 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.3 | -41.9 | 177.6 | -65.6 | -16.9 | 0 | 0 | 0 | 112.8 | Q118 F119 K120 T126 K139 M140 L143 | Q118-Y122 PolarHBondContact O-N 3.02Å; F119-Y122 PolarHBondContact O-N 2.84Å; K120-Y122 VanDerWaalsContact C-N 3.35Å; K120-Y122 PolarHBondContact O-N 3.41Å; Y122-T126 WeakPolarHBondContact O-CG2 3.4Å; Y122-K139 HydrophobicContact CD1-CD 4.5Å; Y122-K139 HydrophobicContact CD2-CB 3.84Å; Y122-K139 HydrophobicContact CE2-CB 3.67Å; Y122-K139 HydrophobicContact CG-CD 4.48Å; Y122-M140 HydrophobicContact CD2-CG 4.15Å; Y122-M140 HydrophobicContact CD2-SD 3.6Å; Y122-M140 HydrophobicContact CE2-SD 3.77Å; Y122-L143 HydrophobicContact CE2-CD2 4.45Å |
| 123 | V | 96.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -68.9 | -41.1 | 179.5 | 171.7 | 0 | 0 | 0 | 0 | 111.7 | F119 K120 E121 N125 T126 M133 V136 Y177 Y180 | F119-V123 HydrophobicContact CD1-CG2 4.07Å; F119-V123 HydrophobicContact CD2-CG2 4.41Å; F119-V123 HydrophobicContact CE1-CG2 3.61Å; F119-V123 HydrophobicContact CE2-CG2 3.97Å; F119-V123 HydrophobicContact CG-CG2 4.48Å; F119-V123 HydrophobicContact CZ-CG2 3.56Å; F119-V123 WeakPolarHBondContact O-CG2 3.36Å; F119-V123 PolarHBondContact O-N 2.62Å; K120-V123 PolarHBondContact O-N 2.72Å; E121-V123 PolarHBondContact O-N 3Å; V123-N125 VanDerWaalsContact C-N 3.3Å; V123-N125 PolarHBondContact O-N 3.18Å; V123-T126 PolarHBondContact O-N 3.03Å; V123-T126 PolarHBondContact O-OG1 3.11Å; V123-M133 HydrophobicContact CG2-CE 4.17Å; V123-V136 HydrophobicContact CG2-CG1 4.08Å; V123-Y177 HydrophobicContact CB-CD1 4.31Å; V123-Y177 HydrophobicContact CB-CE1 4.32Å; V123-Y177 HydrophobicContact CG1-CD1 4.21Å; V123-Y177 HydrophobicContact CG1-CE1 4.14Å; V123-Y180 HydrophobicContact CG1-CD2 4.11Å; V123-Y180 HydrophobicContact CG1-CE2 4.11Å |
| 124 | D | 95.2 | Very high | 94.3 | Very high | 62 Ų | 62 | 61.3 Ų | 61.3 | 33% | 0.332 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -71.9 | -24.7 | -176.9 | -73.9 | -16.9 | 0 | 0 | 0 | 113.5 | K120 E121 T126 R128 Y177 | K120-D124 IonicContact NZ-OD2 2.55Å; K120-D124 PolarHBondContact NZ-OD2 3Å; K120-D124 WeakPolarHBondContact O-CB 3.34Å; K120-D124 PolarHBondContact O-N 3.03Å; E121-D124 PolarHBondContact O-N 3.36Å; D124-T126 PolarHBondContact O-N 3.33Å; D124-R128 IonicContact OD1-NH2 2.66Å; D124-R128 PolarHBondContact OD1-NH2 2.87Å; D124-Y177 PolarHBondContact OD1-OH 3.07Å; D124-Y177 PolarHBondContact OD2-OH 3.16Å |
| 125 | N | 94.8 | Very high | 94.3 | Very high | 126 Ų | 126 | 61.6 Ų | 61.6 | 67% | 0.674 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | 14.2 | 174.9 | -71.1 | -33.9 | 0 | 0 | 0 | 113.8 | E121 V123 | E121-N125 WeakPolarHBondContact O-CB 3.37Å; E121-N125 PolarHBondContact O-N 2.95Å; E121-N125 VanDerWaalsContact O-N 3.17Å; E121-N125 PolarHBondContact O-ND2 3.05Å; E121-N125 VanDerWaalsContact O-ND2 3.08Å; V123-N125 VanDerWaalsContact C-N 3.3Å; V123-N125 PolarHBondContact O-N 3.18Å |
| 126 | T | 93.2 | Very high | 94.3 | Very high | 31 Ų | 31 | 61.6 Ų | 61.6 | 19% | 0.19 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -120.5 | 163 | -179.3 | 68.6 | 0 | 0 | 0 | 0 | 112.6 | Y122 V123 D124 R128 D132 V136 | Y122-T126 WeakPolarHBondContact O-CG2 3.4Å; V123-T126 PolarHBondContact O-N 3.03Å; V123-T126 PolarHBondContact O-OG1 3.11Å; D124-T126 PolarHBondContact O-N 3.33Å; T126-R128 PolarHBondContact O-N 3.43Å; T126-R128 PolarHBondContact OG1-N 3.18Å; T126-D132 HydrophobicContact CG2-CB 3.87Å; T126-V136 HydrophobicContact CG2-CG2 3.92Å |
| 127 | S | 89.6 | Confident | 94.3 | Very high | 106 Ų | 106 | 62.4 Ų | 62.4 | 74% | 0.741 | 33% | 0.33 | S | S | * | . | trans | -80.7 | 6.6 | 168.9 | -61.7 | 0 | 0 | 0 | 0 | 112.6 | T129 D132 | S127-T129 PolarHBondContact O-N 3.26Å; S127-D132 WeakPolarHBondContact CA-OD2 3.05Å; S127-D132 WeakPolarHBondContact CB-OD2 3.37Å; S127-D132 PolarHBondContact N-OD2 3.34Å; S127-D132 VanDerWaalsContact N-OD2 3.16Å | ||
| 128 | R | 88.5 | Confident | 94.4 | Very high | 101 Ų | 101 | 65.4 Ų | 65.4 | 38% | 0.381 | 34% | 0.344 | S | S | . | . | trans | 57.9 | 28.8 | 177.7 | -61.8 | -179.9 | 177.8 | -167 | -0.2 | 113.9 | D124 T126 D132 Y180 | D124-R128 IonicContact OD1-NH2 2.66Å; D124-R128 PolarHBondContact OD1-NH2 2.87Å; T126-R128 PolarHBondContact O-N 3.43Å; T126-R128 PolarHBondContact OG1-N 3.18Å; R128-D132 PolarHBondContact N-OD2 3.01Å; R128-Y180 WeakPolarHBondContact CB-OH 3.44Å | ||
| 129 | T | 87.3 | Confident | 94.4 | Very high | 66 Ų | 66 | 66.3 Ų | 66.3 | 41% | 0.405 | 35% | 0.347 | S | S | . | . | trans | -78.5 | 164.3 | 173.3 | 72 | 0 | 0 | 0 | 0 | 110.9 | S127 N131 D132 M133 | S127-T129 PolarHBondContact O-N 3.26Å; T129-N131 PolarHBondContact O-N 3.42Å; T129-D132 PolarHBondContact N-OD2 3.18Å; T129-D132 VanDerWaalsContact N-OD2 3.07Å; T129-D132 PolarHBondContact O-N 2.77Å; T129-D132 PolarHBondContact OG1-N 3.4Å; T129-D132 PolarHBondContact OG1-OD1 3.19Å; T129-D132 PolarHBondContact OG1-OD2 2.84Å; T129-M133 WeakPolarHBondContact O-CG 3.28Å; T129-M133 PolarHBondContact O-N 2.99Å | ||
| 130 | G | 85.9 | Confident | 94.4 | Very high | 61 Ų | 61 | 66.4 Ų | 66.4 | 63% | 0.629 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -59.2 | -34 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | R134 | G130-R134 PolarHBondContact O-N 3.41Å |
| 131 | N | 90.1 | Very high | 94.5 | Very high | 113 Ų | 113 | 66.3 Ų | 66.3 | 60% | 0.604 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -71.1 | -42.1 | 176.1 | -75.3 | -21.1 | 0 | 0 | 0 | 111.5 | T129 M133 R134 E135 | T129-N131 PolarHBondContact O-N 3.42Å; N131-M133 VanDerWaalsContact C-N 3.31Å; N131-M133 PolarHBondContact O-N 2.87Å; N131-R134 WeakPolarHBondContact O-CB 3.34Å; N131-R134 PolarHBondContact O-N 2.85Å; N131-E135 PolarHBondContact O-N 3.03Å |
| 132 | D | 93 | Very high | 94.5 | Very high | 34 Ų | 34 | 64.6 Ų | 64.6 | 18% | 0.182 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.3 | -44.5 | 176.1 | -58.1 | -26 | 0 | 0 | 0 | 110.8 | T126 S127 R128 T129 R134 E135 V136 | T126-D132 HydrophobicContact CG2-CB 3.87Å; S127-D132 WeakPolarHBondContact CA-OD2 3.05Å; S127-D132 WeakPolarHBondContact CB-OD2 3.37Å; S127-D132 PolarHBondContact N-OD2 3.34Å; S127-D132 VanDerWaalsContact N-OD2 3.16Å; R128-D132 PolarHBondContact N-OD2 3.01Å; T129-D132 PolarHBondContact N-OD2 3.18Å; T129-D132 VanDerWaalsContact N-OD2 3.07Å; T129-D132 PolarHBondContact O-N 2.77Å; T129-D132 PolarHBondContact OG1-N 3.4Å; T129-D132 PolarHBondContact OG1-OD1 3.19Å; T129-D132 PolarHBondContact OG1-OD2 2.84Å; D132-R134 VanDerWaalsContact C-N 3.27Å; D132-R134 PolarHBondContact O-N 3.3Å; D132-E135 CarbonylContact O-C 3.51Å; D132-E135 WeakPolarHBondContact O-CA 3.5Å; D132-E135 WeakPolarHBondContact O-CB 3.47Å; D132-E135 PolarHBondContact O-N 3.21Å; D132-V136 WeakPolarHBondContact O-CG2 3.28Å; D132-V136 PolarHBondContact O-N 2.82Å |
| 133 | M | 95 | Very high | 94.6 | Very high | 23 Ų | 23 | 64.1 Ų | 64.1 | 11% | 0.113 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.7 | -32.9 | 179.5 | -64.6 | -52.2 | -58.5 | 0 | 0 | 112.1 | V123 T129 N131 V136 A137 L156 Y180 | V123-M133 HydrophobicContact CG2-CE 4.17Å; T129-M133 WeakPolarHBondContact O-CG 3.28Å; T129-M133 PolarHBondContact O-N 2.99Å; N131-M133 VanDerWaalsContact C-N 3.31Å; N131-M133 PolarHBondContact O-N 2.87Å; M133-V136 PolarHBondContact O-N 3.02Å; M133-A137 PolarHBondContact O-N 3.42Å; M133-L156 HydrophobicContact CE-CD1 3.8Å; M133-L156 WeakPolarHBondContact O-CD1 3.32Å; M133-Y180 HydrophobicContact CE-CD1 3.69Å; M133-Y180 HydrophobicContact CE-CE1 3.99Å; M133-Y180 HydrophobicContact CE-CG 4.07Å; M133-Y180 HydrophobicContact CG-CE1 4.36Å; M133-Y180 HydrophobicContact SD-CD1 4.36Å; M133-Y180 HydrophobicContact SD-CE1 4.04Å |
| 134 | R | 95.4 | Very high | 94.7 | Very high | 166 Ų | 166 | 64.1 Ų | 64.1 | 63% | 0.626 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -64.2 | -41.6 | 171 | -174.3 | -175.4 | -63 | 155.6 | 2.6 | 111.4 | G130 N131 D132 A137 N138 | G130-R134 PolarHBondContact O-N 3.41Å; N131-R134 WeakPolarHBondContact O-CB 3.34Å; N131-R134 PolarHBondContact O-N 2.85Å; D132-R134 VanDerWaalsContact C-N 3.27Å; D132-R134 PolarHBondContact O-N 3.3Å; R134-A137 PolarHBondContact O-N 3.4Å; R134-N138 PolarHBondContact O-N 3.21Å; R134-N138 VanDerWaalsContact O-N 3.11Å |
| 135 | E | 96.7 | Very high | 94.8 | Very high | 93 Ų | 93 | 62.1 Ų | 62.1 | 44% | 0.435 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.6 | -41.7 | 175.6 | -167.6 | -174.4 | 157.1 | 0 | 0 | 111.7 | N131 D132 A137 N138 K139 | N131-E135 PolarHBondContact O-N 3.03Å; D132-E135 CarbonylContact O-C 3.51Å; D132-E135 WeakPolarHBondContact O-CA 3.5Å; D132-E135 WeakPolarHBondContact O-CB 3.47Å; D132-E135 PolarHBondContact O-N 3.21Å; E135-A137 VanDerWaalsContact C-N 3.32Å; E135-A137 PolarHBondContact O-N 3.45Å; E135-N138 PolarHBondContact O-N 3.06Å; E135-K139 HydrophobicContact CG-CD 4.44Å; E135-K139 WeakPolarHBondContact O-CG 3.44Å; E135-K139 PolarHBondContact O-N 2.96Å; E135-K139 WeakPolarHBondContact OE1-CE 3.32Å; E135-K139 IonicContact OE1-NZ 2.97Å; E135-K139 PolarHBondContact OE1-NZ 3.23Å |
| 136 | V | 98 | Very high | 94.9 | Very high | 2 Ų | 2 | 62.7 Ų | 62.7 | 1% | 0.012 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -57.6 | -45.5 | 173.7 | 175.1 | 0 | 0 | 0 | 0 | 110.6 | F119 V123 T126 D132 M133 N138 K139 M140 L156 | F119-V136 HydrophobicContact CD2-CG1 4.07Å; F119-V136 HydrophobicContact CE2-CG1 3.76Å; V123-V136 HydrophobicContact CG2-CG1 4.08Å; T126-V136 HydrophobicContact CG2-CG2 3.92Å; D132-V136 WeakPolarHBondContact O-CG2 3.28Å; D132-V136 PolarHBondContact O-N 2.82Å; M133-V136 PolarHBondContact O-N 3.02Å; V136-N138 VanDerWaalsContact C-N 3.32Å; V136-N138 PolarHBondContact O-N 3.43Å; V136-K139 PolarHBondContact O-N 2.69Å; V136-M140 HydrophobicContact CG1-CG 4.31Å; V136-M140 WeakPolarHBondContact O-CB 3.39Å; V136-M140 VanDerWaalsContact O-CG 3.31Å; V136-M140 WeakPolarHBondContact O-CG 3.37Å; V136-M140 PolarHBondContact O-N 3.39Å; V136-L156 HydrophobicContact CB-CD1 4.06Å; V136-L156 HydrophobicContact CG1-CD1 3.83Å |
| 137 | A | 98 | Very high | 95 | Very high | 18 Ų | 18 | 64.3 Ų | 64.3 | 15% | 0.149 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -59.4 | -42.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | M133 R134 E135 M140 K141 V154 L156 | M133-A137 PolarHBondContact O-N 3.42Å; R134-A137 PolarHBondContact O-N 3.4Å; E135-A137 VanDerWaalsContact C-N 3.32Å; E135-A137 PolarHBondContact O-N 3.45Å; A137-M140 PolarHBondContact O-N 3Å; A137-K141 WeakPolarHBondContact O-CB 3.46Å; A137-K141 PolarHBondContact O-N 2.85Å; A137-V154 HydrophobicContact CB-CG1 4.41Å; A137-L156 HydrophobicContact CB-CD1 3.85Å; A137-L156 HydrophobicContact CB-CG 3.96Å |
| 138 | N | 98 | Very high | 95.3 | Very high | 96 Ų | 96 | 60 Ų | 60 | 51% | 0.513 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.9 | -41.5 | 176.9 | -71.3 | -20.2 | 0 | 0 | 0 | 112.7 | R134 E135 V136 K141 S142 | R134-N138 PolarHBondContact O-N 3.21Å; R134-N138 VanDerWaalsContact O-N 3.11Å; E135-N138 PolarHBondContact O-N 3.06Å; V136-N138 VanDerWaalsContact C-N 3.32Å; V136-N138 PolarHBondContact O-N 3.43Å; N138-K141 PolarHBondContact O-N 2.86Å; N138-S142 WeakPolarHBondContact O-CB 3.23Å; N138-S142 PolarHBondContact O-N 3.35Å; N138-S142 PolarHBondContact O-OG 2.82Å |
| 139 | K | 98.2 | Very high | 95.5 | Very high | 86 Ų | 86 | 56.3 Ų | 56.3 | 37% | 0.374 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.9 | -46.4 | 175.6 | -75.3 | 177.4 | 179 | 165 | 0 | 111.1 | Y122 E135 V136 K141 S142 L143 | Y122-K139 HydrophobicContact CD1-CD 4.5Å; Y122-K139 HydrophobicContact CD2-CB 3.84Å; Y122-K139 HydrophobicContact CE2-CB 3.67Å; Y122-K139 HydrophobicContact CG-CD 4.48Å; E135-K139 HydrophobicContact CG-CD 4.44Å; E135-K139 WeakPolarHBondContact O-CG 3.44Å; E135-K139 PolarHBondContact O-N 2.96Å; E135-K139 WeakPolarHBondContact OE1-CE 3.32Å; E135-K139 IonicContact OE1-NZ 2.97Å; E135-K139 PolarHBondContact OE1-NZ 3.23Å; V136-K139 PolarHBondContact O-N 2.69Å; K139-K141 PolarHBondContact O-N 3.45Å; K139-S142 PolarHBondContact O-N 2.93Å; K139-L143 WeakPolarHBondContact O-CB 3.41Å; K139-L143 PolarHBondContact O-N 3.19Å |
| 140 | M | 98.5 | Very high | 95.9 | Very high | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.8 | -46.7 | 175.6 | -73.2 | -54.8 | -59.6 | 0 | 0 | 111.9 | I115 F119 Y122 V136 A137 S142 L143 L144 V154 | I115-M140 HydrophobicContact CG2-CE 3.75Å; F119-M140 HydrophobicContact CB-CE 4.09Å; F119-M140 HydrophobicContact CB-SD 3.91Å; F119-M140 HydrophobicContact CD2-CE 4.43Å; F119-M140 HydrophobicContact CD2-CG 3.79Å; F119-M140 HydrophobicContact CD2-SD 3.94Å; F119-M140 HydrophobicContact CE2-CG 4.47Å; F119-M140 HydrophobicContact CG-SD 4.46Å; Y122-M140 HydrophobicContact CD2-CG 4.15Å; Y122-M140 HydrophobicContact CD2-SD 3.6Å; Y122-M140 HydrophobicContact CE2-SD 3.77Å; V136-M140 HydrophobicContact CG1-CG 4.31Å; V136-M140 WeakPolarHBondContact O-CB 3.39Å; V136-M140 VanDerWaalsContact O-CG 3.31Å; V136-M140 WeakPolarHBondContact O-CG 3.37Å; V136-M140 PolarHBondContact O-N 3.39Å; A137-M140 PolarHBondContact O-N 3Å; M140-S142 VanDerWaalsContact C-N 3.34Å; M140-S142 PolarHBondContact O-N 3.3Å; M140-L143 HydrophobicContact CE-CD2 4.45Å; M140-L143 PolarHBondContact O-N 2.68Å; M140-L143 HydrophobicContact SD-CD2 4.45Å; M140-L144 WeakPolarHBondContact O-CB 3.37Å; M140-L144 WeakPolarHBondContact O-CG 3.39Å; M140-L144 PolarHBondContact O-N 3.36Å; M140-V154 HydrophobicContact CB-CG1 4.05Å; M140-V154 HydrophobicContact CB-CG2 4.3Å |
| 141 | K | 98.4 | Very high | 96.4 | Very high | 57 Ų | 57 | 61.1 Ų | 61.1 | 25% | 0.248 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -57.1 | -49.3 | 176.5 | 173.4 | 167.9 | 171 | 42.7 | 0 | 111.3 | A137 N138 K139 L143 L144 D145 V151 W152 V154 | A137-K141 WeakPolarHBondContact O-CB 3.46Å; A137-K141 PolarHBondContact O-N 2.85Å; N138-K141 PolarHBondContact O-N 2.86Å; K139-K141 PolarHBondContact O-N 3.45Å; K141-L143 PolarHBondContact O-N 3.33Å; K141-L144 PolarHBondContact O-N 3Å; K141-D145 IonicContact NZ-OD1 2.86Å; K141-D145 IonicContact NZ-OD2 3.77Å; K141-D145 PolarHBondContact NZ-OD2 2.98Å; K141-D145 VanDerWaalsContact O-CB 3.27Å; K141-D145 WeakPolarHBondContact O-CB 3.45Å; K141-D145 PolarHBondContact O-N 3.28Å; K141-V151 VanDerWaalsContact NZ-CG1 3.29Å; K141-W152 WeakPolarHBondContact CD-O 3.31Å; K141-W152 WeakPolarHBondContact CE-O 3.45Å; K141-W152 PolarHBondContact NZ-O 2.93Å; K141-V154 HydrophobicContact CB-CB 4.49Å; K141-V154 HydrophobicContact CB-CG2 3.94Å |
| 142 | S | 98.2 | Very high | 96.7 | Very high | 63 Ų | 63 | 55.7 Ų | 55.7 | 44% | 0.441 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.8 | -42.2 | -178.8 | -55.8 | 0 | 0 | 0 | 0 | 112 | N138 K139 M140 N146 | N138-S142 WeakPolarHBondContact O-CB 3.23Å; N138-S142 PolarHBondContact O-N 3.35Å; N138-S142 PolarHBondContact O-OG 2.82Å; K139-S142 PolarHBondContact O-N 2.93Å; M140-S142 VanDerWaalsContact C-N 3.34Å; M140-S142 PolarHBondContact O-N 3.3Å; S142-N146 WeakPolarHBondContact O-CB 3.46Å; S142-N146 PolarHBondContact O-N 2.88Å; S142-N146 VanDerWaalsContact O-N 3.07Å; S142-N146 PolarHBondContact O-ND2 2.8Å; S142-N146 VanDerWaalsContact O-ND2 3.09Å |
| 143 | L | 98.2 | Very high | 97 | Very high | 42 Ų | 42 | 57.7 Ų | 57.7 | 22% | 0.22 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.7 | -51.7 | 174.7 | 173.6 | 68.2 | 0 | 0 | 0 | 111.1 | Q118 Y122 K139 M140 K141 N146 T147 | Q118-L143 HydrophobicContact CB-CD2 3.63Å; Q118-L143 HydrophobicContact CG-CD2 3.83Å; Y122-L143 HydrophobicContact CE2-CD2 4.45Å; K139-L143 WeakPolarHBondContact O-CB 3.41Å; K139-L143 PolarHBondContact O-N 3.19Å; M140-L143 HydrophobicContact CE-CD2 4.45Å; M140-L143 PolarHBondContact O-N 2.68Å; M140-L143 HydrophobicContact SD-CD2 4.45Å; K141-L143 PolarHBondContact O-N 3.33Å; L143-N146 PolarHBondContact O-N 3.18Å; L143-T147 WeakPolarHBondContact O-CB 3.42Å; L143-T147 PolarHBondContact O-N 2.95Å; L143-T147 PolarHBondContact O-OG1 3.27Å |
| 144 | L | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -67.3 | -40.8 | -176.1 | -65.8 | 169 | 0 | 0 | 0 | 112.1 | I115 M140 K141 N146 T147 Y148 W152 V154 A184 | I115-L144 HydrophobicContact CD1-CD2 3.64Å; I115-L144 HydrophobicContact CG1-CD2 3.76Å; I115-L144 HydrophobicContact CG2-CD2 4.49Å; M140-L144 WeakPolarHBondContact O-CB 3.37Å; M140-L144 WeakPolarHBondContact O-CG 3.39Å; M140-L144 PolarHBondContact O-N 3.36Å; K141-L144 PolarHBondContact O-N 3Å; L144-N146 VanDerWaalsContact C-N 3.31Å; L144-N146 PolarHBondContact O-N 3.31Å; L144-T147 PolarHBondContact O-N 3.45Å; L144-Y148 HydrophobicContact CD2-CD2 3.75Å; L144-Y148 HydrophobicContact CD2-CE2 3.81Å; L144-Y148 PolarHBondContact O-N 2.86Å; L144-W152 VanDerWaalsContact C-CD1 3.41Å; L144-W152 HydrophobicContact CB-CB 4.07Å; L144-W152 HydrophobicContact CB-CD2 3.53Å; L144-W152 HydrophobicContact CB-CE3 4.11Å; L144-W152 HydrophobicContact CB-CG 3.48Å; L144-W152 VanDerWaalsContact CB-CG 3.48Å; L144-W152 HydrophobicContact CB-CZ2 4.45Å; L144-W152 HydrophobicContact CD1-CD2 3.99Å; L144-W152 HydrophobicContact CD1-CE3 3.66Å; L144-W152 HydrophobicContact CD1-CG 4.38Å; L144-W152 HydrophobicContact CD1-CZ3 4.15Å; L144-W152 HydrophobicContact CD2-CH2 4.45Å; L144-W152 HydrophobicContact CD2-CZ2 4.5Å; L144-W152 HydrophobicContact CD2-CZ3 4.47Å; L144-W152 HydrophobicContact CG-CD2 4.24Å; L144-W152 HydrophobicContact CG-CE3 4.32Å; L144-W152 PolarHBondContact O-NE1 3.48Å; L144-V154 HydrophobicContact CD1-CG2 3.98Å; L144-A184 HydrophobicContact CD1-CB 3.84Å |
| 145 | D | 97.4 | Very high | 97.3 | Very high | 20 Ų | 20 | 52.8 Ų | 52.8 | 11% | 0.107 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57.8 | -43 | 174.7 | -85.4 | -17.4 | 0 | 0 | 0 | 112 | K141 G149 R150 V151 W152 | K141-D145 IonicContact NZ-OD1 2.86Å; K141-D145 IonicContact NZ-OD2 3.77Å; K141-D145 PolarHBondContact NZ-OD2 2.98Å; K141-D145 VanDerWaalsContact O-CB 3.27Å; K141-D145 WeakPolarHBondContact O-CB 3.45Å; K141-D145 PolarHBondContact O-N 3.28Å; D145-G149 CarbonylContact O-C 3.54Å; D145-G149 VanDerWaalsContact O-CA 3.29Å; D145-G149 WeakPolarHBondContact O-CA 3.4Å; D145-G149 PolarHBondContact O-N 3.28Å; D145-R150 HydrophobicContact CB-CG 3.63Å; D145-V151 WeakPolarHBondContact OD1-CA 3.46Å; D145-W152 PolarHBondContact OD1-N 3.3Å |
| 146 | N | 96.9 | Very high | 97.3 | Very high | 137 Ų | 137 | 50.1 Ų | 50.1 | 73% | 0.733 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -76.6 | -36.1 | -178.7 | -69.5 | -25.4 | 0 | 0 | 0 | 112.8 | S142 L143 L144 | S142-N146 WeakPolarHBondContact O-CB 3.46Å; S142-N146 PolarHBondContact O-N 2.88Å; S142-N146 VanDerWaalsContact O-N 3.07Å; S142-N146 PolarHBondContact O-ND2 2.8Å; S142-N146 VanDerWaalsContact O-ND2 3.09Å; L143-N146 PolarHBondContact O-N 3.18Å; L144-N146 VanDerWaalsContact C-N 3.31Å; L144-N146 PolarHBondContact O-N 3.31Å |
| 147 | T | 96 | Very high | 97.2 | Very high | 65 Ų | 65 | 51.9 Ų | 51.9 | 40% | 0.399 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -87.4 | -39.6 | -174.4 | -54.5 | 0 | 0 | 0 | 0 | 112.8 | R80 L143 L144 | R80-T147 PolarHBondContact NH1-O 3.32Å; L143-T147 WeakPolarHBondContact O-CB 3.42Å; L143-T147 PolarHBondContact O-N 2.95Å; L143-T147 PolarHBondContact O-OG1 3.27Å; L144-T147 PolarHBondContact O-N 3.45Å |
| 148 | Y | 95 | Very high | 97.1 | Very high | 15 Ų | 15 | 55.8 Ų | 55.8 | 6% | 0.059 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -119.8 | 11.6 | -171.6 | -51.5 | -58.7 | 0 | 0 | 0 | 113.3 | M107 K111 E114 I115 L144 W152 R186 | M107-Y148 HydrophobicContact CE-CD2 4.16Å; M107-Y148 HydrophobicContact CE-CE2 4.24Å; M107-Y148 HydrophobicContact CE-CG 4.48Å; K111-Y148 HydrophobicContact CD-CE1 4.24Å; K111-Y148 HydrophobicContact CG-CE1 3.99Å; E114-Y148 PolarHBondContact OE2-OH 3.48Å; I115-Y148 HydrophobicContact CD1-CE2 3.89Å; I115-Y148 HydrophobicContact CG1-CE2 4.01Å; L144-Y148 HydrophobicContact CD2-CD2 3.75Å; L144-Y148 HydrophobicContact CD2-CE2 3.81Å; L144-Y148 PolarHBondContact O-N 2.86Å; Y148-W152 HydrophobicContact CD2-CZ2 4.04Å; Y148-W152 HydrophobicContact CG-CZ2 4.3Å; Y148-R186 PolarHBondContact O-NH1 3.21Å |
| 149 | G | 93.7 | Very high | 97 | Very high | 25 Ų | 25 | 53.9 Ų | 53.9 | 26% | 0.258 | 30% | 0.299 | S | S | . | . | trans | 82.1 | 158.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | D145 W152 R186 | D145-G149 CarbonylContact O-C 3.54Å; D145-G149 VanDerWaalsContact O-CA 3.29Å; D145-G149 WeakPolarHBondContact O-CA 3.4Å; D145-G149 PolarHBondContact O-N 3.28Å; G149-W152 PolarHBondContact O-NE1 2.92Å; G149-R186 VanDerWaalsContact O-CD 3.28Å; G149-R186 WeakPolarHBondContact O-CD 3.26Å | ||
| 150 | R | 95 | Very high | 96.8 | Very high | 174 Ų | 174 | 54.7 Ų | 54.7 | 66% | 0.657 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -92.9 | 152.7 | -174.5 | -62.1 | -175.8 | -66.7 | -179 | -0.1 | 111.5 | D145 | D145-R150 HydrophobicContact CB-CG 3.63Š|
| 151 | V | 96 | Very high | 96.7 | Very high | 53 Ų | 53 | 57.3 Ų | 57.3 | 32% | 0.321 | 33% | 0.326 | S | S | . | . | cis | -116 | 129.6 | 6.5 | -173 | 0 | 0 | 0 | 0 | 111 | K141 D145 T187 | K141-V151 VanDerWaalsContact NZ-CG1 3.29Å; D145-V151 WeakPolarHBondContact OD1-CA 3.46Å; V151-T187 PolarHBondContact O-N 3.02Å; V151-T187 PolarHBondContact O-OG1 3.37Å; V151-T187 VanDerWaalsContact O-OG1 3.1Å | ||
| 152 | W | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 140.8 | 175.8 | -74 | 80.5 | 0 | 0 | 0 | 113.3 | M107 K141 L144 D145 Y148 G149 L171 A184 W185 R186 | M107-W152 HydrophobicContact CE-CH2 3.67Å; M107-W152 HydrophobicContact CE-CZ2 4.16Å; M107-W152 HydrophobicContact SD-CH2 3.76Å; M107-W152 HydrophobicContact SD-CZ3 4.39Å; K141-W152 WeakPolarHBondContact CD-O 3.31Å; K141-W152 WeakPolarHBondContact CE-O 3.45Å; K141-W152 PolarHBondContact NZ-O 2.93Å; L144-W152 VanDerWaalsContact C-CD1 3.41Å; L144-W152 HydrophobicContact CB-CB 4.07Å; L144-W152 HydrophobicContact CB-CD2 3.53Å; L144-W152 HydrophobicContact CB-CE3 4.11Å; L144-W152 HydrophobicContact CB-CG 3.48Å; L144-W152 VanDerWaalsContact CB-CG 3.48Å; L144-W152 HydrophobicContact CB-CZ2 4.45Å; L144-W152 HydrophobicContact CD1-CD2 3.99Å; L144-W152 HydrophobicContact CD1-CE3 3.66Å; L144-W152 HydrophobicContact CD1-CG 4.38Å; L144-W152 HydrophobicContact CD1-CZ3 4.15Å; L144-W152 HydrophobicContact CD2-CH2 4.45Å; L144-W152 HydrophobicContact CD2-CZ2 4.5Å; L144-W152 HydrophobicContact CD2-CZ3 4.47Å; L144-W152 HydrophobicContact CG-CD2 4.24Å; L144-W152 HydrophobicContact CG-CE3 4.32Å; L144-W152 PolarHBondContact O-NE1 3.48Å; D145-W152 PolarHBondContact OD1-N 3.3Å; Y148-W152 HydrophobicContact CD2-CZ2 4.04Å; Y148-W152 HydrophobicContact CG-CZ2 4.3Å; G149-W152 PolarHBondContact O-NE1 2.92Å; W152-L171 HydrophobicContact CH2-CB 3.96Å; W152-L171 HydrophobicContact CH2-CD2 4.38Å; W152-L171 HydrophobicContact CZ2-CB 4.07Å; W152-L171 HydrophobicContact CZ2-CD2 4.03Å; W152-A184 HydrophobicContact CE3-CB 4.17Å; W152-A184 HydrophobicContact CZ3-CB 4.23Å; W152-W185 WeakPolarHBondContact CA-O 3.17Å; W152-R186 HydrophobicContact CD2-CB 4.02Å; W152-R186 HydrophobicContact CD2-CG 4.48Å; W152-R186 HydrophobicContact CE3-CB 4.45Å; W152-R186 HydrophobicContact CG-CB 4.46Å; W152-R186 HydrophobicContact CG-CG 4.48Å; W152-R186 HydrophobicContact CH2-CB 4.48Å; W152-R186 HydrophobicContact CZ2-CB 4.06Å |
| 153 | Q | 97.7 | Very high | 96.4 | Very high | 76 Ų | 76 | 66 Ų | 66 | 36% | 0.355 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 136.4 | 165.3 | -49.9 | -54.7 | -26.1 | 0 | 0 | 108.4 | A184 W185 T187 | Q153-A184 VanDerWaalsContact O-CA 3.24Å; Q153-A184 WeakPolarHBondContact O-CA 3.49Å; Q153-W185 HydrophobicContact CB-CD2 4.08Å; Q153-W185 HydrophobicContact CB-CE3 4.49Å; Q153-W185 HydrophobicContact CB-CH2 4.19Å; Q153-W185 HydrophobicContact CB-CZ2 3.74Å; Q153-W185 HydrophobicContact CG-CZ2 4.14Å; Q153-W185 PolarHBondContact N-O 3.47Å; Q153-W185 PolarHBondContact O-N 2.97Å; Q153-W185 VanDerWaalsContact O-N 3.1Å; Q153-T187 HydrophobicContact CG-CG2 3.99Å |
| 154 | V | 98.4 | Very high | 96 | Very high | 25 Ų | 25 | 71.8 Ų | 71.8 | 15% | 0.152 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 125.1 | 178 | -178.9 | 0 | 0 | 0 | 0 | 109 | A137 M140 K141 L144 L156 L183 A184 | A137-V154 HydrophobicContact CB-CG1 4.41Å; M140-V154 HydrophobicContact CB-CG1 4.05Å; M140-V154 HydrophobicContact CB-CG2 4.3Å; K141-V154 HydrophobicContact CB-CB 4.49Å; K141-V154 HydrophobicContact CB-CG2 3.94Å; L144-V154 HydrophobicContact CD1-CG2 3.98Å; V154-L156 HydrophobicContact CG1-CD2 4.13Å; V154-L156 HydrophobicContact CG1-CG 4.5Å; V154-L183 CarbonylContact C-O 3.59Å; V154-L183 WeakPolarHBondContact CA-O 3.39Å; V154-A184 HydrophobicContact CG2-CB 4.16Å |
| 155 | V | 98.1 | Very high | 95.6 | Very high | 61 Ų | 61 | 74.4 Ų | 74.4 | 37% | 0.37 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 125.7 | 177 | -176.8 | 0 | 0 | 0 | 0 | 108.7 | L157 L183 W185 | V155-L157 HydrophobicContact CG1-CD2 4.14Å; V155-L183 HydrophobicContact CB-CB 4.27Å; V155-L183 HydrophobicContact CB-CD1 4.45Å; V155-L183 PolarHBondContact N-O 3.3Å; V155-L183 PolarHBondContact O-N 3.45Å; V155-W185 HydrophobicContact CG2-CH2 4.03Å; V155-W185 HydrophobicContact CG2-CZ3 4.18Å |
| 156 | L | 97.6 | Very high | 95.3 | Very high | 37 Ų | 37 | 78.4 Ų | 78.4 | 19% | 0.194 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 133.5 | 173.2 | -54.3 | -173 | 0 | 0 | 0 | 109.3 | F119 M133 V136 A137 V154 V181 C182 | F119-L156 HydrophobicContact CE2-CD1 3.93Å; F119-L156 HydrophobicContact CE2-CD2 3.49Å; F119-L156 VanDerWaalsContact CE2-CD2 3.49Å; F119-L156 HydrophobicContact CE2-CG 4.39Å; F119-L156 HydrophobicContact CZ-CD1 4.44Å; F119-L156 HydrophobicContact CZ-CD2 3.94Å; M133-L156 HydrophobicContact CE-CD1 3.8Å; M133-L156 WeakPolarHBondContact O-CD1 3.32Å; V136-L156 HydrophobicContact CB-CD1 4.06Å; V136-L156 HydrophobicContact CG1-CD1 3.83Å; A137-L156 HydrophobicContact CB-CD1 3.85Å; A137-L156 HydrophobicContact CB-CG 3.96Å; V154-L156 HydrophobicContact CG1-CD2 4.13Å; V154-L156 HydrophobicContact CG1-CG 4.5Å; L156-V181 WeakPolarHBondContact CA-O 3.34Å; L156-C182 HydrophobicContact CD2-CB 3.66Å; L156-C182 WeakPolarHBondContact CD2-SG 3.3Å |
| 157 | L | 97 | Very high | 95.1 | Very high | 39 Ų | 39 | 73.8 Ų | 73.8 | 20% | 0.204 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 163.1 | -179.6 | 66.6 | 108.7 | 0 | 0 | 0 | 112.3 | V155 Y161 V181 L183 | V155-L157 HydrophobicContact CG1-CD2 4.14Å; L157-Y161 HydrophobicContact CD1-CD1 4.21Å; L157-Y161 HydrophobicContact CD2-CD1 4.45Å; L157-Y161 HydrophobicContact CD2-CG 4.32Å; L157-V181 HydrophobicContact CD1-CB 4.19Å; L157-V181 HydrophobicContact CG-CB 4.04Å; L157-V181 HydrophobicContact CG-CG1 4.45Å; L157-V181 PolarHBondContact N-O 3.08Å; L157-V181 PolarHBondContact O-N 2.76Å; L157-L183 HydrophobicContact CD2-CD1 3.81Å; L157-L183 HydrophobicContact CD2-CG 4.26Å |
| 158 | T | 95.4 | Very high | 95 | Very high | 100 Ų | 100 | 72.2 Ų | 72.2 | 61% | 0.613 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -120.1 | 126 | 168.1 | 56.2 | 0 | 0 | 0 | 0 | 108.3 | Y180 | T158-Y180 HydrophobicContact CG2-CD1 3.75Å; T158-Y180 HydrophobicContact CG2-CE1 3.87Å |
| 159 | G | 94.6 | Very high | 94.9 | Very high | 56 Ų | 56 | 72.5 Ų | 72.5 | 58% | 0.577 | 39% | 0.389 | S | S | * | . | S | Bend | trans | 116.7 | -153.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 160 | S | 95.2 | Very high | 95 | Very high | 102 Ų | 102 | 71.5 Ų | 71.5 | 71% | 0.713 | 38% | 0.378 | S | S | * | . | trans | -97.3 | 151.7 | -179.2 | -58 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 161 | Y | 96.8 | Very high | 95 | Very high | 57 Ų | 57 | 63.5 Ų | 63.5 | 22% | 0.224 | 35% | 0.348 | C | S | . | . | trans | -142.7 | 156.4 | 176.9 | 69.9 | -77.6 | 0 | 0 | 0 | 110.2 | I103 L157 M163 Q174 V181 L183 | I103-Y161 HydrophobicContact CD1-CE1 4.2Å; I103-Y161 WeakPolarHBondContact CG2-OH 3.13Å; L157-Y161 HydrophobicContact CD1-CD1 4.21Å; L157-Y161 HydrophobicContact CD2-CD1 4.45Å; L157-Y161 HydrophobicContact CD2-CG 4.32Å; Y161-M163 HydrophobicContact CD2-CG 4.19Å; Y161-M163 HydrophobicContact CD2-SD 4.21Å; Y161-M163 HydrophobicContact CE2-CG 4.11Å; Y161-M163 HydrophobicContact CE2-SD 3.88Å; Y161-Q174 PolarHBondContact OH-OE1 3.17Å; Y161-V181 HydrophobicContact CD1-CG1 4.19Å; Y161-V181 HydrophobicContact CE1-CG1 3.73Å; Y161-L183 HydrophobicContact CD2-CD1 3.68Å; Y161-L183 HydrophobicContact CD2-CD2 4.28Å; Y161-L183 HydrophobicContact CE1-CD2 4.07Å; Y161-L183 HydrophobicContact CE2-CD1 3.79Å; Y161-L183 HydrophobicContact CE2-CD2 3.59Å; Y161-L183 HydrophobicContact CE2-CG 4.36Å; Y161-L183 HydrophobicContact CG-CD1 4.19Å; Y161-L183 VanDerWaalsContact CZ-CD2 3.47Å; Y161-L183 WeakPolarHBondContact OH-CD2 3.34Å | ||
| 162 | W | 94.9 | Very high | 95.1 | Very high | 236 Ų | 236 | 61.2 Ų | 61.2 | 89% | 0.894 | 33% | 0.334 | S | S | * | . | trans | -133.4 | 135 | 167.9 | -64 | -93 | 0 | 0 | 0 | 107.3 | ||||
| 163 | M | 93.7 | Very high | 95 | Very high | 66 Ų | 66 | 61.2 Ų | 61.2 | 33% | 0.325 | 33% | 0.334 | S | S | . | . | trans | -145.8 | 151.8 | -179.8 | 67.9 | -178 | -59.8 | 0 | 0 | 110.9 | Y161 F165 L183 W185 | Y161-M163 HydrophobicContact CD2-CG 4.19Å; Y161-M163 HydrophobicContact CD2-SD 4.21Å; Y161-M163 HydrophobicContact CE2-CG 4.11Å; Y161-M163 HydrophobicContact CE2-SD 3.88Å; M163-F165 HydrophobicContact CE-CB 3.78Å; M163-F165 HydrophobicContact CE-CD1 3.45Å; M163-F165 VanDerWaalsContact CE-CD1 3.45Å; M163-F165 HydrophobicContact CE-CD2 3.9Å; M163-F165 HydrophobicContact CE-CE1 3.96Å; M163-F165 HydrophobicContact CE-CE2 4.31Å; M163-F165 HydrophobicContact CE-CG 3.44Å; M163-F165 VanDerWaalsContact CE-CG 3.44Å; M163-F165 HydrophobicContact CE-CZ 4.37Å; M163-F165 HydrophobicContact CG-CD1 4.28Å; M163-F165 HydrophobicContact SD-CD1 4.21Å; M163-F165 HydrophobicContact SD-CE1 4.31Å; M163-L183 HydrophobicContact SD-CD1 3.88Å; M163-W185 HydrophobicContact CE-CE3 4.08Å; M163-W185 HydrophobicContact CE-CH2 4.05Å; M163-W185 HydrophobicContact CE-CZ3 3.75Å | ||
| 164 | N | 90.3 | Very high | 95 | Very high | 163 Ų | 163 | 58.4 Ų | 58.4 | 87% | 0.872 | 32% | 0.321 | S | S | * | . | trans | -128 | 132.7 | 161.6 | -170.9 | 7.5 | 0 | 0 | 0 | 106.9 | ||||
| 165 | F | 90.7 | Very high | 95 | Very high | 55 Ų | 55 | 57.2 Ų | 57.2 | 24% | 0.241 | 31% | 0.314 | C | S | . | . | trans | -153.2 | 164.8 | -171.9 | 73.9 | -60 | 0 | 0 | 0 | 111 | M163 H167 Q174 W185 | M163-F165 HydrophobicContact CE-CB 3.78Å; M163-F165 HydrophobicContact CE-CD1 3.45Å; M163-F165 VanDerWaalsContact CE-CD1 3.45Å; M163-F165 HydrophobicContact CE-CD2 3.9Å; M163-F165 HydrophobicContact CE-CE1 3.96Å; M163-F165 HydrophobicContact CE-CE2 4.31Å; M163-F165 HydrophobicContact CE-CG 3.44Å; M163-F165 VanDerWaalsContact CE-CG 3.44Å; M163-F165 HydrophobicContact CE-CZ 4.37Å; M163-F165 HydrophobicContact CG-CD1 4.28Å; M163-F165 HydrophobicContact SD-CD1 4.21Å; M163-F165 HydrophobicContact SD-CE1 4.31Å; F165-H167 HydrophobicContact CD2-CB 4.4Å; F165-H167 AromaticContact CD2-CD2 3.92Å; F165-H167 HydrophobicContact CE2-CB 4.27Å; F165-H167 AromaticContact CE2-CD2 3.31Å; F165-H167 WeakPolarHBondContact CE2-CD2 3.49Å; F165-H167 AromaticContact CZ-CD2 3.66Å; F165-Q174 VanDerWaalsContact CE1-NE2 3.35Å; F165-W185 HydrophobicContact CD2-CB 4.02Å; F165-W185 AromaticContact CD2-CD1 3.97Å; F165-W185 AromaticContact CD2-CD2 3.84Å; F165-W185 HydrophobicContact CD2-CD2 3.84Å; F165-W185 HydrophobicContact CD2-CE3 4.33Å; F165-W185 AromaticContact CD2-CG 3.68Å; F165-W185 HydrophobicContact CD2-CG 3.68Å; F165-W185 HydrophobicContact CE2-CB 3.73Å; F165-W185 HydrophobicContact CE2-CD2 4.21Å; F165-W185 HydrophobicContact CE2-CE3 4.46Å; F165-W185 AromaticContact CE2-CG 3.9Å; F165-W185 HydrophobicContact CE2-CG 3.9Å | ||
| 166 | S | 90.1 | Very high | 95 | Very high | 104 Ų | 104 | 58.2 Ų | 58.2 | 73% | 0.727 | 31% | 0.313 | S | S | * | . | trans | -129 | 147.1 | 169.3 | -57.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 167 | H | 93 | Very high | 95 | Very high | 40 Ų | 40 | 57 Ų | 57 | 19% | 0.185 | 31% | 0.306 | C | S | . | . | trans | -142.2 | 161.7 | -175.2 | 56.2 | 65.4 | 0 | 0 | 0 | 109.4 | E11 F165 S172 W185 R186 | E11-H167 IonicContact OE1-CE1 3.57Å; E11-H167 PolarHBondContact OE1-CE1 3.44Å; E11-H167 VanDerWaalsContact OE1-CE1 3.26Å; E11-H167 IonicContact OE1-ND1 2.75Å; E11-H167 IonicContact OE2-CE1 3.27Å; F165-H167 HydrophobicContact CD2-CB 4.4Å; F165-H167 AromaticContact CD2-CD2 3.92Å; F165-H167 HydrophobicContact CE2-CB 4.27Å; F165-H167 AromaticContact CE2-CD2 3.31Å; F165-H167 WeakPolarHBondContact CE2-CD2 3.49Å; F165-H167 AromaticContact CZ-CD2 3.66Å; H167-S172 WeakPolarHBondContact CD2-CB 3.39Å; H167-S172 PolarHBondContact CD2-OG 2.82Å; H167-S172 VanDerWaalsContact CD2-OG 3.31Å; H167-S172 PolarHBondContact NE2-OG 3.04Å; H167-S172 VanDerWaalsContact NE2-OG 3.1Å; H167-W185 HydrophobicContact CB-CB 3.91Å; H167-W185 HydrophobicContact CB-CG 4.45Å; H167-R186 VanDerWaalsContact CA-O 3.3Å; H167-R186 WeakPolarHBondContact CA-O 3.43Å | ||
| 168 | E | 93.1 | Very high | 94.8 | Very high | 33 Ų | 33 | 57.2 Ų | 57.2 | 15% | 0.154 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -64.7 | 151.5 | 168.7 | -72.3 | -173 | 83.4 | 0 | 0 | 111.1 | F170 L171 R186 P188 | E168-F170 PolarHBondContact O-N 2.89Å; E168-L171 HydrophobicContact CB-CD1 4.13Å; E168-L171 PolarHBondContact O-N 3.49Å; E168-R186 HydrophobicContact CB-CB 4.49Å; E168-R186 VanDerWaalsContact CD-NE 3.3Å; E168-R186 PolarHBondContact N-O 2.97Å; E168-R186 IonicContact OE1-CZ 2.68Å; E168-R186 IonicContact OE1-NE 2.84Å; E168-R186 IonicContact OE1-NH2 3.36Å; E168-R186 PolarHBondContact OE1-NH2 3.28Å; E168-R186 IonicContact OE2-CZ 3.74Å; E168-R186 IonicContact OE2-NE 3.58Å; E168-R186 PolarHBondContact OE2-NE 2.96Å; E168-R186 IonicContact OE2-NH2 3.69Å; E168-R186 PolarHBondContact OE2-NH2 3.24Å; E168-P188 HydrophobicContact CG-CB 4.48Å; E168-P188 HydrophobicContact CG-CG 3.96Å |
| 169 | P | 93.7 | Very high | 94.7 | Very high | 20 Ų | 20 | 58.2 Ų | 58.2 | 13% | 0.13 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | 132.8 | -174.9 | -29 | 37.1 | 0 | 0 | 0 | 113.3 | M10 E11 I14 L73 L171 | M10-P169 HydrophobicContact CG-CG 4Å; M10-P169 HydrophobicContact SD-CG 3.48Å; M10-P169 WeakPolarHBondContact SD-CG 3.32Å; E11-P169 HydrophobicContact CG-CB 3.68Å; E11-P169 HydrophobicContact CG-CG 4.48Å; I14-P169 HydrophobicContact CD1-CB 3.54Å; I14-P169 HydrophobicContact CD1-CG 3.73Å; L73-P169 HydrophobicContact CD2-CG 4.02Å; P169-L171 WeakPolarHBondContact O-CG 3.37Å; P169-L171 PolarHBondContact O-N 3.27Å |
| 170 | F | 95.5 | Very high | 94.8 | Very high | 5 Ų | 5 | 57.3 Ų | 57.3 | 2% | 0.022 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | 23.4 | 176.1 | -42.9 | -68.1 | 0 | 0 | 0 | 115 | L7 E11 I14 R15 E81 T106 M107 E168 | L7-F170 HydrophobicContact CD2-CE1 4.34Å; E11-F170 HydrophobicContact CB-CD1 4.4Å; E11-F170 HydrophobicContact CB-CE1 3.66Å; E11-F170 HydrophobicContact CB-CZ 3.75Å; E11-F170 HydrophobicContact CG-CD1 4.04Å; E11-F170 HydrophobicContact CG-CE1 3.76Å; E11-F170 HydrophobicContact CG-CE2 4.27Å; E11-F170 HydrophobicContact CG-CG 4.43Å; E11-F170 HydrophobicContact CG-CZ 3.9Å; E11-F170 WeakPolarHBondContact O-CZ 3.37Å; E11-F170 PolarHBondContact OE1-N 3.33Å; I14-F170 HydrophobicContact CB-CE2 3.78Å; I14-F170 HydrophobicContact CB-CZ 3.93Å; I14-F170 HydrophobicContact CD1-CE2 3.77Å; I14-F170 HydrophobicContact CD1-CZ 4.43Å; I14-F170 HydrophobicContact CG1-CE2 4.39Å; I14-F170 HydrophobicContact CG2-CE2 3.56Å; I14-F170 HydrophobicContact CG2-CZ 4.02Å; R15-F170 HydrophobicContact CG-CE1 3.94Å; R15-F170 HydrophobicContact CG-CZ 3.86Å; E81-F170 HydrophobicContact CG-CD2 3.67Å; E81-F170 HydrophobicContact CG-CE2 4.02Å; E81-F170 HydrophobicContact CG-CG 4.05Å; T106-F170 WeakPolarHBondContact O-CD1 3.34Å; T106-F170 WeakPolarHBondContact OG1-CA 3.48Å; M107-F170 VanDerWaalsContact CA-O 3.29Å; M107-F170 WeakPolarHBondContact CA-O 3.45Å; M107-F170 WeakPolarHBondContact CB-O 3.25Å; M107-F170 VanDerWaalsContact CG-O 3.25Å; M107-F170 WeakPolarHBondContact CG-O 3Å; E168-F170 PolarHBondContact O-N 2.89Å |
| 171 | L | 95.8 | Very high | 94.9 | Very high | 6 Ų | 6 | 52.9 Ų | 52.9 | 3% | 0.031 | 26% | 0.257 | C | S | . | . | trans | -129.3 | 47.3 | -175.3 | -60.2 | 172.3 | 0 | 0 | 0 | 111.8 | T106 M107 W152 E168 P169 W185 R186 | T106-L171 PolarHBondContact OG1-N 3.16Å; M107-L171 HydrophobicContact CE-CD2 3.91Å; W152-L171 HydrophobicContact CH2-CB 3.96Å; W152-L171 HydrophobicContact CH2-CD2 4.38Å; W152-L171 HydrophobicContact CZ2-CB 4.07Å; W152-L171 HydrophobicContact CZ2-CD2 4.03Å; E168-L171 HydrophobicContact CB-CD1 4.13Å; E168-L171 PolarHBondContact O-N 3.49Å; P169-L171 WeakPolarHBondContact O-CG 3.37Å; P169-L171 PolarHBondContact O-N 3.27Å; L171-W185 WeakPolarHBondContact O-CA 3.48Å; L171-R186 HydrophobicContact CB-CB 3.77Å; L171-R186 HydrophobicContact CD1-CB 4.11Å; L171-R186 HydrophobicContact CD1-CG 4.47Å; L171-R186 PolarHBondContact O-N 3.01Å | ||
| 172 | S | 96.8 | Very high | 95 | Very high | 4 Ų | 4 | 50.1 Ų | 50.1 | 3% | 0.028 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 141.9 | 167.8 | 73.9 | 0 | 0 | 0 | 0 | 112.9 | A105 T106 M107 H167 A184 | A105-S172 WeakPolarHBondContact CA-O 3.4Å; T106-S172 PolarHBondContact N-O 3.28Å; T106-S172 PolarHBondContact OG1-N 3.28Å; T106-S172 PolarHBondContact OG1-OG 2.99Å; T106-S172 VanDerWaalsContact OG1-OG 3.13Å; M107-S172 VanDerWaalsContact CG-O 3.28Å; M107-S172 WeakPolarHBondContact CG-O 3.46Å; H167-S172 WeakPolarHBondContact CD2-CB 3.39Å; H167-S172 PolarHBondContact CD2-OG 2.82Å; H167-S172 VanDerWaalsContact CD2-OG 3.31Å; H167-S172 PolarHBondContact NE2-OG 3.04Å; H167-S172 VanDerWaalsContact NE2-OG 3.1Å; S172-A184 WeakPolarHBondContact CA-O 3.39Å |
| 173 | I | 97.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 136.5 | 177.5 | -168 | 178.8 | 0 | 0 | 0 | 110.7 | I102 A104 A105 M107 Q112 I115 F175 A184 | I102-I173 HydrophobicContact CD1-CD1 4.46Å; A104-I173 CarbonylContact O-C 3.58Å; A105-I173 HydrophobicContact CB-CB 4.38Å; A105-I173 HydrophobicContact CB-CG1 4Å; M107-I173 HydrophobicContact CG-CB 4.48Å; M107-I173 HydrophobicContact SD-CB 4.08Å; M107-I173 HydrophobicContact SD-CG2 4.1Å; Q112-I173 HydrophobicContact CB-CD1 4.11Å; Q112-I173 HydrophobicContact CG-CD1 3.9Å; Q112-I173 HydrophobicContact CG-CG1 4.48Å; I115-I173 HydrophobicContact CB-CD1 4.42Å; I115-I173 HydrophobicContact CD1-CG2 4.27Å; I115-I173 HydrophobicContact CG2-CD1 4.27Å; I115-I173 HydrophobicContact CG2-CG2 4.31Å; I173-F175 HydrophobicContact CD1-CD1 3.93Å; I173-F175 HydrophobicContact CD1-CE1 4.33Å; I173-F175 HydrophobicContact CG1-CD1 3.95Å; I173-A184 HydrophobicContact CG2-CB 3.97Å; I173-A184 PolarHBondContact N-O 2.93Å; I173-A184 PolarHBondContact O-N 3.44Å; I173-A184 VanDerWaalsContact O-O 3.13Å |
| 174 | Q | 97.5 | Very high | 95.4 | Very high | 18 Ų | 18 | 36.1 Ų | 36.1 | 8% | 0.084 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 122 | 174.6 | -55.3 | -180 | 25.6 | 0 | 0 | 107.4 | I103 A104 Y161 F165 C182 L183 | I103-Q174 HydrophobicContact CB-CB 4.12Å; I103-Q174 PolarHBondContact N-O 3.49Å; A104-Q174 HydrophobicContact CB-CB 4.35Å; A104-Q174 HydrophobicContact CB-CG 4.5Å; A104-Q174 PolarHBondContact N-O 3.08Å; A104-Q174 WeakPolarHBondContact O-CA 3.39Å; A104-Q174 PolarHBondContact O-N 2.95Å; Y161-Q174 PolarHBondContact OH-OE1 3.17Å; F165-Q174 VanDerWaalsContact CE1-NE2 3.35Å; Q174-C182 WeakPolarHBondContact CA-O 3.4Å; Q174-L183 HydrophobicContact CB-CD2 3.75Å; Q174-L183 HydrophobicContact CG-CD2 3.68Å |
| 175 | F | 97.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 158.8 | -178.1 | 67.2 | -81.8 | 0 | 0 | 0 | 111.3 | I100 E101 I102 I115 F119 I173 V181 C182 | I100-F175 HydrophobicContact CG2-CD2 4.2Å; E101-F175 CarbonylContact O-C 3.53Å; E101-F175 VanDerWaalsContact O-CA 3.25Å; E101-F175 WeakPolarHBondContact O-CA 3.21Å; E101-F175 WeakPolarHBondContact O-CB 2.79Å; I102-F175 HydrophobicContact CD1-CB 3.82Å; I115-F175 HydrophobicContact CG2-CE1 4.07Å; I115-F175 HydrophobicContact CG2-CZ 4.42Å; F119-F175 HydrophobicContact CB-CE2 3.95Å; F119-F175 HydrophobicContact CB-CZ 3.62Å; F119-F175 AromaticContact CD1-CE2 3.46Å; F119-F175 HydrophobicContact CD1-CE2 3.46Å; F119-F175 VanDerWaalsContact CD1-CE2 3.46Å; F119-F175 AromaticContact CD1-CZ 3.79Å; F119-F175 HydrophobicContact CD1-CZ 3.79Å; F119-F175 HydrophobicContact CD2-CZ 4.2Å; F119-F175 HydrophobicContact CE1-CE2 4.12Å; F119-F175 AromaticContact CG-CE2 3.77Å; F119-F175 HydrophobicContact CG-CE2 3.77Å; F119-F175 AromaticContact CG-CZ 3.58Å; F119-F175 HydrophobicContact CG-CZ 3.58Å; I173-F175 HydrophobicContact CD1-CD1 3.93Å; I173-F175 HydrophobicContact CD1-CE1 4.33Å; I173-F175 HydrophobicContact CG1-CD1 3.95Å; F175-V181 WeakPolarHBondContact O-CA 3.46Å; F175-C182 HydrophobicContact CD1-CB 4.11Å; F175-C182 HydrophobicContact CE1-CB 3.62Å; F175-C182 HydrophobicContact CE2-CB 4.1Å; F175-C182 HydrophobicContact CZ-CB 3.61Å; F175-C182 PolarHBondContact N-O 3.33Å; F175-C182 PolarHBondContact O-N 3.29Å |
| 176 | K | 97.6 | Very high | 96 | Very high | 82 Ų | 82 | 27.9 Ų | 27.9 | 36% | 0.357 | 15% | 0.145 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 133.1 | 177 | -178.7 | 175.3 | 172.1 | -178.1 | 0 | 109.1 | I100 E101 I103 N178 Y180 V181 | I100-K176 VanDerWaalsContact CA-O 3.28Å; I100-K176 WeakPolarHBondContact CA-O 3.41Å; E101-K176 HydrophobicContact CB-CB 4.44Å; E101-K176 PolarHBondContact N-O 3.48Å; E101-K176 PolarHBondContact O-N 3.47Å; I103-K176 HydrophobicContact CD1-CB 4.33Å; K176-N178 WeakPolarHBondContact CE-O 3.28Å; K176-N178 WeakPolarHBondContact CG-O 3.47Å; K176-Y180 CarbonylContact C-O 3.56Å; K176-Y180 VanDerWaalsContact CA-O 3.3Å; K176-Y180 WeakPolarHBondContact CA-O 3.44Å; K176-V181 HydrophobicContact CB-CG2 4.4Å; K176-V181 HydrophobicContact CG-CG2 4.34Å |
| 177 | Y | 97.2 | Very high | 96.2 | Very high | 10 Ų | 10 | 24.6 Ų | 24.6 | 4% | 0.039 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 110.6 | 166.6 | 178.1 | -130 | 0 | 0 | 0 | 109.4 | N99 I100 F119 K120 V123 D124 N179 Y180 | N99-Y177 HydrophobicContact CB-CD2 4.28Å; N99-Y177 HydrophobicContact CB-CE2 4.13Å; N99-Y177 WeakPolarHBondContact O-CA 3.3Å; I100-Y177 HydrophobicContact CD1-CD2 4.37Å; I100-Y177 HydrophobicContact CG1-CD2 3.71Å; I100-Y177 HydrophobicContact CG1-CG 4.3Å; F119-Y177 HydrophobicContact CD1-CD1 4.41Å; F119-Y177 HydrophobicContact CE1-CD1 4.32Å; K120-Y177 HydrophobicContact CB-CD1 4.49Å; K120-Y177 HydrophobicContact CB-CE1 4.24Å; K120-Y177 HydrophobicContact CD-CE2 4.03Å; K120-Y177 HydrophobicContact CG-CE1 4Å; K120-Y177 HydrophobicContact CG-CE2 4.24Å; K120-Y177 PolarHBondContact NZ-OH 3.2Å; V123-Y177 HydrophobicContact CB-CD1 4.31Å; V123-Y177 HydrophobicContact CB-CE1 4.32Å; V123-Y177 HydrophobicContact CG1-CD1 4.21Å; V123-Y177 HydrophobicContact CG1-CE1 4.14Å; D124-Y177 PolarHBondContact OD1-OH 3.07Å; D124-Y177 PolarHBondContact OD2-OH 3.16Å; Y177-N179 PolarHBondContact O-N 3.07Å; Y177-Y180 PolarHBondContact N-O 3.35Å; Y177-Y180 PolarHBondContact O-N 3.24Å |
| 178 | N | 93.9 | Very high | 96 | Very high | 45 Ų | 45 | 27 Ų | 27 | 24% | 0.241 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.1 | -108.5 | -169.9 | -56.4 | -49.6 | 0 | 0 | 0 | 111.6 | N99 K176 | N99-N178 VanDerWaalsContact CB-OD1 3.26Å; N99-N178 WeakPolarHBondContact CB-OD1 3.17Å; N99-N178 PolarHBondContact ND2-OD1 3.16Å; N99-N178 PolarHBondContact O-N 3.23Å; K176-N178 WeakPolarHBondContact CE-O 3.28Å; K176-N178 WeakPolarHBondContact CG-O 3.47Å |
| 179 | N | 93.6 | Very high | 95.2 | Very high | 121 Ų | 121 | 28.7 Ų | 28.7 | 65% | 0.647 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.3 | -4.1 | -179.3 | -66.6 | -24.3 | 0 | 0 | 0 | 113.7 | Y177 | Y177-N179 PolarHBondContact O-N 3.07Š|
| 180 | Y | 96.7 | Very high | 93.5 | Very high | 36 Ų | 36 | 40.5 Ų | 40.5 | 14% | 0.141 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 130.3 | -177.7 | -57.1 | -73.4 | 0 | 0 | 0 | 110.1 | V123 R128 M133 T158 K176 Y177 | V123-Y180 HydrophobicContact CG1-CD2 4.11Å; V123-Y180 HydrophobicContact CG1-CE2 4.11Å; R128-Y180 WeakPolarHBondContact CB-OH 3.44Å; M133-Y180 HydrophobicContact CE-CD1 3.69Å; M133-Y180 HydrophobicContact CE-CE1 3.99Å; M133-Y180 HydrophobicContact CE-CG 4.07Å; M133-Y180 HydrophobicContact CG-CE1 4.36Å; M133-Y180 HydrophobicContact SD-CD1 4.36Å; M133-Y180 HydrophobicContact SD-CE1 4.04Å; T158-Y180 HydrophobicContact CG2-CD1 3.75Å; T158-Y180 HydrophobicContact CG2-CE1 3.87Å; K176-Y180 CarbonylContact C-O 3.56Å; K176-Y180 VanDerWaalsContact CA-O 3.3Å; K176-Y180 WeakPolarHBondContact CA-O 3.44Å; Y177-Y180 PolarHBondContact N-O 3.35Å; Y177-Y180 PolarHBondContact O-N 3.24Å |
| 181 | V | 97.7 | Very high | 93.4 | Very high | 9 Ų | 9 | 42.3 Ų | 42.3 | 6% | 0.055 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 130.5 | 169.5 | 176 | 0 | 0 | 0 | 0 | 107.9 | I103 L156 L157 Y161 F175 K176 L183 | I103-V181 HydrophobicContact CD1-CG1 3.85Å; I103-V181 HydrophobicContact CD1-CG2 4.36Å; L156-V181 WeakPolarHBondContact CA-O 3.34Å; L157-V181 HydrophobicContact CD1-CB 4.19Å; L157-V181 HydrophobicContact CG-CB 4.04Å; L157-V181 HydrophobicContact CG-CG1 4.45Å; L157-V181 PolarHBondContact N-O 3.08Å; L157-V181 PolarHBondContact O-N 2.76Å; Y161-V181 HydrophobicContact CD1-CG1 4.19Å; Y161-V181 HydrophobicContact CE1-CG1 3.73Å; F175-V181 WeakPolarHBondContact O-CA 3.46Å; K176-V181 HydrophobicContact CB-CG2 4.4Å; K176-V181 HydrophobicContact CG-CG2 4.34Å; V181-L183 HydrophobicContact CG1-CD2 3.64Å; V181-L183 HydrophobicContact CG1-CG 4.23Å |
| 182 | C | 98.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 123.1 | 174.5 | -178.1 | 0 | 0 | 0 | 0 | 108.9 | F119 L156 Q174 F175 | F119-C182 HydrophobicContact CD2-CB 4.35Å; F119-C182 HydrophobicContact CE1-CB 4.39Å; F119-C182 HydrophobicContact CE2-CB 3.99Å; F119-C182 HydrophobicContact CZ-CB 3.99Å; L156-C182 HydrophobicContact CD2-CB 3.66Å; L156-C182 WeakPolarHBondContact CD2-SG 3.3Å; Q174-C182 WeakPolarHBondContact CA-O 3.4Å; F175-C182 HydrophobicContact CD1-CB 4.11Å; F175-C182 HydrophobicContact CE1-CB 3.62Å; F175-C182 HydrophobicContact CE2-CB 4.1Å; F175-C182 HydrophobicContact CZ-CB 3.61Å; F175-C182 PolarHBondContact N-O 3.33Å; F175-C182 PolarHBondContact O-N 3.29Å |
| 183 | L | 98.1 | Very high | 93.1 | Very high | 7 Ų | 7 | 46.4 Ų | 46.4 | 4% | 0.037 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 123.2 | 173.8 | -44.7 | 176.4 | 0 | 0 | 0 | 107.4 | V154 V155 L157 Y161 M163 Q174 V181 W185 | V154-L183 CarbonylContact C-O 3.59Å; V154-L183 WeakPolarHBondContact CA-O 3.39Å; V155-L183 HydrophobicContact CB-CB 4.27Å; V155-L183 HydrophobicContact CB-CD1 4.45Å; V155-L183 PolarHBondContact N-O 3.3Å; V155-L183 PolarHBondContact O-N 3.45Å; L157-L183 HydrophobicContact CD2-CD1 3.81Å; L157-L183 HydrophobicContact CD2-CG 4.26Å; Y161-L183 HydrophobicContact CD2-CD1 3.68Å; Y161-L183 HydrophobicContact CD2-CD2 4.28Å; Y161-L183 HydrophobicContact CE1-CD2 4.07Å; Y161-L183 HydrophobicContact CE2-CD1 3.79Å; Y161-L183 HydrophobicContact CE2-CD2 3.59Å; Y161-L183 HydrophobicContact CE2-CG 4.36Å; Y161-L183 HydrophobicContact CG-CD1 4.19Å; Y161-L183 VanDerWaalsContact CZ-CD2 3.47Å; Y161-L183 WeakPolarHBondContact OH-CD2 3.34Å; M163-L183 HydrophobicContact SD-CD1 3.88Å; Q174-L183 HydrophobicContact CB-CD2 3.75Å; Q174-L183 HydrophobicContact CG-CD2 3.68Å; V181-L183 HydrophobicContact CG1-CD2 3.64Å; V181-L183 HydrophobicContact CG1-CG 4.23Å; L183-W185 HydrophobicContact CB-CZ3 4.09Å |
| 184 | A | 98.4 | Very high | 92.8 | Very high | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.008 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 134.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | L144 W152 Q153 V154 S172 I173 | L144-A184 HydrophobicContact CD1-CB 3.84Å; W152-A184 HydrophobicContact CE3-CB 4.17Å; W152-A184 HydrophobicContact CZ3-CB 4.23Å; Q153-A184 VanDerWaalsContact O-CA 3.24Å; Q153-A184 WeakPolarHBondContact O-CA 3.49Å; V154-A184 HydrophobicContact CG2-CB 4.16Å; S172-A184 WeakPolarHBondContact CA-O 3.39Å; I173-A184 HydrophobicContact CG2-CB 3.97Å; I173-A184 PolarHBondContact N-O 2.93Å; I173-A184 PolarHBondContact O-N 3.44Å; I173-A184 VanDerWaalsContact O-O 3.13Å |
| 185 | W | 97.7 | Very high | 92.5 | Very high | 42 Ų | 42 | 51.1 Ų | 51.1 | 16% | 0.159 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 147.5 | 175 | 66.7 | 95.2 | 0 | 0 | 0 | 112.4 | W152 Q153 V155 M163 F165 H167 L171 L183 | W152-W185 WeakPolarHBondContact CA-O 3.17Å; Q153-W185 HydrophobicContact CB-CD2 4.08Å; Q153-W185 HydrophobicContact CB-CE3 4.49Å; Q153-W185 HydrophobicContact CB-CH2 4.19Å; Q153-W185 HydrophobicContact CB-CZ2 3.74Å; Q153-W185 HydrophobicContact CG-CZ2 4.14Å; Q153-W185 PolarHBondContact N-O 3.47Å; Q153-W185 PolarHBondContact O-N 2.97Å; Q153-W185 VanDerWaalsContact O-N 3.1Å; V155-W185 HydrophobicContact CG2-CH2 4.03Å; V155-W185 HydrophobicContact CG2-CZ3 4.18Å; M163-W185 HydrophobicContact CE-CE3 4.08Å; M163-W185 HydrophobicContact CE-CH2 4.05Å; M163-W185 HydrophobicContact CE-CZ3 3.75Å; F165-W185 HydrophobicContact CD2-CB 4.02Å; F165-W185 AromaticContact CD2-CD1 3.97Å; F165-W185 AromaticContact CD2-CD2 3.84Å; F165-W185 HydrophobicContact CD2-CD2 3.84Å; F165-W185 HydrophobicContact CD2-CE3 4.33Å; F165-W185 AromaticContact CD2-CG 3.68Å; F165-W185 HydrophobicContact CD2-CG 3.68Å; F165-W185 HydrophobicContact CE2-CB 3.73Å; F165-W185 HydrophobicContact CE2-CD2 4.21Å; F165-W185 HydrophobicContact CE2-CE3 4.46Å; F165-W185 AromaticContact CE2-CG 3.9Å; F165-W185 HydrophobicContact CE2-CG 3.9Å; H167-W185 HydrophobicContact CB-CB 3.91Å; H167-W185 HydrophobicContact CB-CG 4.45Å; L171-W185 WeakPolarHBondContact O-CA 3.48Å; L183-W185 HydrophobicContact CB-CZ3 4.09Å |
| 186 | R | 97.1 | Very high | 92.2 | Very high | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.008 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 132.1 | 172.6 | -158.9 | 176.2 | 82.5 | -174.7 | 3.3 | 110.2 | E77 Y148 G149 W152 H167 E168 L171 | E77-R186 IonicContact OE1-CZ 3.67Å; E77-R186 IonicContact OE1-NH1 3.83Å; E77-R186 PolarHBondContact OE1-NH1 3.24Å; E77-R186 IonicContact OE1-NH2 3.61Å; E77-R186 PolarHBondContact OE1-NH2 3.03Å; E77-R186 IonicContact OE2-CZ 3.5Å; E77-R186 IonicContact OE2-NH1 2.71Å; E77-R186 IonicContact OE2-NH2 3.33Å; E77-R186 PolarHBondContact OE2-NH2 2.99Å; Y148-R186 PolarHBondContact O-NH1 3.21Å; G149-R186 VanDerWaalsContact O-CD 3.28Å; G149-R186 WeakPolarHBondContact O-CD 3.26Å; W152-R186 HydrophobicContact CD2-CB 4.02Å; W152-R186 HydrophobicContact CD2-CG 4.48Å; W152-R186 HydrophobicContact CE3-CB 4.45Å; W152-R186 HydrophobicContact CG-CB 4.46Å; W152-R186 HydrophobicContact CG-CG 4.48Å; W152-R186 HydrophobicContact CH2-CB 4.48Å; W152-R186 HydrophobicContact CZ2-CB 4.06Å; H167-R186 VanDerWaalsContact CA-O 3.3Å; H167-R186 WeakPolarHBondContact CA-O 3.43Å; E168-R186 HydrophobicContact CB-CB 4.49Å; E168-R186 VanDerWaalsContact CD-NE 3.3Å; E168-R186 PolarHBondContact N-O 2.97Å; E168-R186 IonicContact OE1-CZ 2.68Å; E168-R186 IonicContact OE1-NE 2.84Å; E168-R186 IonicContact OE1-NH2 3.36Å; E168-R186 PolarHBondContact OE1-NH2 3.28Å; E168-R186 IonicContact OE2-CZ 3.74Å; E168-R186 IonicContact OE2-NE 3.58Å; E168-R186 PolarHBondContact OE2-NE 2.96Å; E168-R186 IonicContact OE2-NH2 3.69Å; E168-R186 PolarHBondContact OE2-NH2 3.24Å; L171-R186 HydrophobicContact CB-CB 3.77Å; L171-R186 HydrophobicContact CD1-CB 4.11Å; L171-R186 HydrophobicContact CD1-CG 4.47Å; L171-R186 PolarHBondContact O-N 3.01Å |
| 187 | T | 94.3 | Very high | 91.8 | Very high | 35 Ų | 35 | 52.5 Ų | 52.5 | 22% | 0.215 | 28% | 0.276 | C | S | . | . | trans | -104.1 | 145.9 | 172.1 | 52.3 | 0 | 0 | 0 | 0 | 110.1 | V151 Q153 S189 | V151-T187 PolarHBondContact O-N 3.02Å; V151-T187 PolarHBondContact O-OG1 3.37Å; V151-T187 VanDerWaalsContact O-OG1 3.1Å; Q153-T187 HydrophobicContact CG-CG2 3.99Å; T187-S189 PolarHBondContact O-N 2.55Å | ||
| 188 | P | 87.4 | Confident | 91.4 | Very high | 92 Ų | 92 | 55.8 Ų | 55.8 | 60% | 0.597 | 30% | 0.295 | S | S | * | . | trans | -51.3 | 127.5 | 176.3 | -24.8 | 33.1 | 0 | 0 | 0 | 111.3 | E168 Q190 | E168-P188 HydrophobicContact CG-CB 4.48Å; E168-P188 HydrophobicContact CG-CG 3.96Å; P188-Q190 PolarHBondContact O-N 3.26Å | ||
| 189 | S | 77.6 | Confident | 91.2 | Very high | 68 Ų | 68 | 56.7 Ų | 56.7 | 48% | 0.476 | 30% | 0.299 | S | S | . | . | trans | -70.5 | 125.4 | 167.5 | 56.8 | 0 | 0 | 0 | 0 | 108.8 | T187 | T187-S189 PolarHBondContact O-N 2.55Š| ||
| 190 | Q | 57.9 | Low | 91 | Very high | 267 Ų | 267 | 50.8 Ų | 50.8 | 100% | 1.248 | 27% | 0.268 | S | S | * | . | trans | -60.6 | 0 | 166.4 | -68.2 | -165 | 1.3 | 0 | 0 | 111.2 | P188 | P188-Q190 PolarHBondContact O-N 3.26Š|
Retrieved 190 of 190 residues in 69.3 ms
(Link to these results)