| 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 | 34.6 | Very low | 59.6 | Low | 234 Ų | 234 | 112.2 Ų | 112.2 | 100% | 1.153 | 64% | 0.636 | S | S | * | * | 0 | 126.7 | 0 | -73.9 | 173.6 | -177.8 | 0 | 0 | 107.9 | |||||
| 2 | P | 40.3 | Very low | 60.6 | Low | 119 Ų | 119 | 108.8 Ų | 108.8 | 77% | 0.773 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 147.5 | 175.3 | 26.4 | -32 | 0 | 0 | 0 | 110.2 | L4 | P2-L4 PolarHBondContact O-N 2.96Š|
| 3 | P | 44.6 | Very low | 62 | Low | 107 Ų | 107 | 103.4 Ų | 103.4 | 70% | 0.695 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 133 | 175 | -15.6 | 27.9 | 0 | 0 | 0 | 109.6 | E5 | P3-E5 PolarHBondContact O-N 3.12Å; P3-E5 VanDerWaalsContact O-N 3.12Å |
| 4 | L | 52.8 | Low | 63.2 | Low | 124 Ų | 124 | 98.1 Ų | 98.1 | 65% | 0.649 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 119.5 | 170.9 | -73.4 | 159 | 0 | 0 | 0 | 108.5 | P2 G6 A7 | P2-L4 PolarHBondContact O-N 2.96Å; L4-G6 PolarHBondContact O-N 2.78Å; L4-A7 HydrophobicContact CB-CB 4.5Å; L4-A7 WeakPolarHBondContact O-CB 3.33Å; L4-A7 PolarHBondContact O-N 2.66Å |
| 5 | E | 50.7 | Low | 64 | Low | 205 Ų | 205 | 92.9 Ų | 92.9 | 96% | 0.958 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | 115 | 175.1 | -101.5 | 177.4 | 148.2 | 0 | 0 | 109.2 | P3 | P3-E5 PolarHBondContact O-N 3.12Å; P3-E5 VanDerWaalsContact O-N 3.12Å |
| 6 | G | 62.5 | Low | 64.8 | Low | 62 Ų | 62 | 87.2 Ų | 87.2 | 64% | 0.639 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 107.3 | -5.6 | -178 | 0 | 0 | 0 | 0 | 0 | 116.2 | L4 | L4-G6 PolarHBondContact O-N 2.78Š|
| 7 | A | 71.5 | Confident | 65.8 | Low | 36 Ų | 36 | 82.7 Ų | 82.7 | 30% | 0.298 | 47% | 0.466 | S | S | . | . | trans | -64.1 | 141.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | L4 K9 | L4-A7 HydrophobicContact CB-CB 4.5Å; L4-A7 WeakPolarHBondContact O-CB 3.33Å; L4-A7 PolarHBondContact O-N 2.66Å; A7-K9 PolarHBondContact O-N 2.86Å | ||
| 8 | C | 72.5 | Confident | 66.7 | Low | 17 Ų | 17 | 78.2 Ų | 78.2 | 12% | 0.115 | 44% | 0.44 | C | S | . | . | trans | -69.2 | 122.4 | 178.9 | -89.6 | 0 | 0 | 0 | 0 | 112 | C13 L14 S17 L42 | C8-C13 WeakPolarHBondContact CA-SG 3.3Å; C8-C13 HydrophobicContact CB-CB 3.58Å; C8-C13 WeakPolarHBondContact CB-SG 3.37Å; C8-C13 WeakPolarHBondContact SG-CB 3.23Å; C8-C13 PolarHBondContact SG-O 3.31Å; C8-C13 CovalentContact SG-SG 2.05Å; C8-C13 PolarHBondContact SG-SG 3.46Å; C8-L14 HydrophobicContact CB-CD2 3.57Å; C8-L14 HydrophobicContact CB-CG 3.84Å; C8-S17 PolarHBondContact SG-OG 3.4Å; C8-L42 PolarHBondContact N-O 3.27Å | ||
| 9 | K | 75.9 | Confident | 67.3 | Low | 199 Ų | 199 | 77.1 Ų | 77.1 | 87% | 0.865 | 43% | 0.433 | S | S | * | . | trans | -93.3 | -10.1 | -177.5 | -61.8 | -172.8 | -176.5 | -178.2 | 0 | 115 | A7 | A7-K9 PolarHBondContact O-N 2.86Š| ||
| 10 | G | 75.3 | Confident | 68 | Low | 32 Ų | 32 | 75.4 Ų | 75.4 | 33% | 0.33 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -136.1 | 159.2 | -176 | 0 | 0 | 0 | 0 | 0 | 113.2 | E12 C13 L14 | G10-E12 VanDerWaalsContact C-N 3.25Å; G10-E12 PolarHBondContact O-N 2.93Å; G10-C13 WeakPolarHBondContact O-CB 3.35Å; G10-C13 PolarHBondContact O-N 3.48Å; G10-L14 PolarHBondContact O-N 3.32Å |
| 11 | L | 74.4 | Confident | 68.7 | Low | 99 Ų | 99 | 72 Ų | 72 | 52% | 0.518 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -56.3 | -40 | 178.5 | -70.5 | 172 | 0 | 0 | 0 | 112 | L14 F15 I50 M57 | L11-L14 PolarHBondContact O-N 2.97Å; L11-F15 WeakPolarHBondContact O-CB 3.4Å; L11-F15 PolarHBondContact O-N 2.67Å; L11-I50 HydrophobicContact CD2-CD1 4.22Å; L11-I50 HydrophobicContact CD2-CG2 4.07Å; L11-M57 HydrophobicContact CB-CE 3.95Å |
| 12 | E | 72.5 | Confident | 71 | Confident | 71 Ų | 71 | 66.7 Ų | 66.7 | 33% | 0.332 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.3 | -46.8 | 174.6 | -168.8 | -174 | 160.6 | 0 | 0 | 112 | G10 L14 F15 C16 M57 K60 | G10-E12 VanDerWaalsContact C-N 3.25Å; G10-E12 PolarHBondContact O-N 2.93Å; E12-L14 PolarHBondContact O-N 2.81Å; E12-F15 PolarHBondContact O-N 3.35Å; E12-C16 VanDerWaalsContact O-CB 3.25Å; E12-C16 WeakPolarHBondContact O-CB 2.88Å; E12-C16 PolarHBondContact O-N 2.79Å; E12-C16 PolarHBondContact O-SG 2.94Å; E12-M57 WeakPolarHBondContact CA-SD 3.42Å; E12-M57 HydrophobicContact CB-SD 4.1Å; E12-M57 HydrophobicContact CG-SD 4.19Å; E12-K60 WeakPolarHBondContact OE1-CB 3.4Å; E12-K60 PolarHBondContact OE1-N 3.06Å |
| 13 | C | 78.4 | Confident | 72.6 | Confident | 39 Ų | 39 | 67 Ų | 67 | 26% | 0.264 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.6 | -48.2 | 177.3 | -172.1 | 0 | 0 | 0 | 0 | 111.1 | C8 G10 F15 C16 S17 | C8-C13 WeakPolarHBondContact CA-SG 3.3Å; C8-C13 HydrophobicContact CB-CB 3.58Å; C8-C13 WeakPolarHBondContact CB-SG 3.37Å; C8-C13 WeakPolarHBondContact SG-CB 3.23Å; C8-C13 PolarHBondContact SG-O 3.31Å; C8-C13 CovalentContact SG-SG 2.05Å; C8-C13 PolarHBondContact SG-SG 3.46Å; G10-C13 WeakPolarHBondContact O-CB 3.35Å; G10-C13 PolarHBondContact O-N 3.48Å; C13-F15 PolarHBondContact O-N 3.34Å; C13-C16 PolarHBondContact O-N 3.44Å; C13-S17 WeakPolarHBondContact O-CB 3.38Å; C13-S17 PolarHBondContact O-N 3.06Å; C13-S17 PolarHBondContact O-OG 2.91Å |
| 14 | L | 78.7 | Confident | 74.2 | Confident | 30 Ų | 30 | 64.5 Ų | 64.5 | 16% | 0.157 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59 | -48.1 | -179.1 | -71 | 168.9 | 0 | 0 | 0 | 111.2 | C8 G10 L11 E12 D18 L44 L47 I50 | C8-L14 HydrophobicContact CB-CD2 3.57Å; C8-L14 HydrophobicContact CB-CG 3.84Å; G10-L14 PolarHBondContact O-N 3.32Å; L11-L14 PolarHBondContact O-N 2.97Å; E12-L14 PolarHBondContact O-N 2.81Å; L14-D18 WeakPolarHBondContact O-CB 3.35Å; L14-D18 PolarHBondContact O-N 2.86Å; L14-L44 HydrophobicContact CB-CD2 4.48Å; L14-L44 HydrophobicContact CD2-CD2 3.83Å; L14-L44 WeakPolarHBondContact O-CD2 3.44Å; L14-L47 HydrophobicContact CB-CD1 4.48Å; L14-L47 HydrophobicContact CB-CD2 4.21Å; L14-I50 HydrophobicContact CB-CD1 4.42Å; L14-I50 HydrophobicContact CD1-CD1 3.81Å |
| 15 | F | 75.7 | Confident | 75.6 | Confident | 19 Ų | 19 | 61.9 Ų | 61.9 | 8% | 0.083 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.6 | -47.8 | 178 | 178.4 | -89.8 | 0 | 0 | 0 | 112.1 | L11 E12 C13 D18 L19 F51 M57 | L11-F15 WeakPolarHBondContact O-CB 3.4Å; L11-F15 PolarHBondContact O-N 2.67Å; E12-F15 PolarHBondContact O-N 3.35Å; C13-F15 PolarHBondContact O-N 3.34Å; F15-D18 PolarHBondContact O-N 2.96Å; F15-L19 WeakPolarHBondContact O-CB 3.4Å; F15-L19 PolarHBondContact O-N 3.34Å; F15-F51 AromaticContact CD2-CD1 3.77Å; F15-F51 HydrophobicContact CD2-CD1 3.77Å; F15-F51 AromaticContact CD2-CE1 3.37Å; F15-F51 HydrophobicContact CD2-CE1 3.37Å; F15-F51 HydrophobicContact CD2-CZ 4.28Å; F15-F51 AromaticContact CE2-CD1 3.67Å; F15-F51 HydrophobicContact CE2-CD1 3.67Å; F15-F51 AromaticContact CE2-CE1 3.43Å; F15-F51 HydrophobicContact CE2-CE1 3.43Å; F15-F51 VanDerWaalsContact CE2-CE1 3.43Å; F15-F51 HydrophobicContact CG-CE1 4.31Å; F15-F51 HydrophobicContact CZ-CE1 4.39Å; F15-M57 HydrophobicContact CB-CE 4.27Å; F15-M57 HydrophobicContact CB-CG 3.98Å; F15-M57 HydrophobicContact CB-SD 3.4Å; F15-M57 WeakPolarHBondContact CB-SD 3.4Å; F15-M57 HydrophobicContact CD1-CG 3.35Å; F15-M57 HydrophobicContact CD1-SD 3.72Å; F15-M57 HydrophobicContact CD2-CG 3.75Å; F15-M57 HydrophobicContact CD2-SD 4.3Å; F15-M57 HydrophobicContact CE1-CG 3.65Å; F15-M57 WeakPolarHBondContact CE1-O 3.31Å; F15-M57 HydrophobicContact CE2-CG 4.01Å; F15-M57 HydrophobicContact CG-CG 3.41Å; F15-M57 VanDerWaalsContact CG-CG 3.41Å; F15-M57 HydrophobicContact CG-SD 3.56Å; F15-M57 VanDerWaalsContact CG-SD 3.56Å; F15-M57 HydrophobicContact CZ-CG 3.97Å |
| 16 | C | 76.2 | Confident | 76.7 | Confident | 2 Ų | 2 | 58.6 Ų | 58.6 | 1% | 0.014 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -71 | -39.2 | -175.3 | -64.7 | 0 | 0 | 0 | 0 | 113 | E12 C13 L19 L20 C59 F62 | E12-C16 VanDerWaalsContact O-CB 3.25Å; E12-C16 WeakPolarHBondContact O-CB 2.88Å; E12-C16 PolarHBondContact O-N 2.79Å; E12-C16 PolarHBondContact O-SG 2.94Å; C13-C16 PolarHBondContact O-N 3.44Å; C16-L19 PolarHBondContact O-N 3.39Å; C16-L20 VanDerWaalsContact O-CB 3.3Å; C16-L20 WeakPolarHBondContact O-CB 3.44Å; C16-L20 PolarHBondContact O-N 2.05Å; C16-C59 WeakPolarHBondContact CA-SG 3.36Å; C16-C59 HydrophobicContact CB-CB 3.92Å; C16-C59 WeakPolarHBondContact CB-SG 3.49Å; C16-C59 WeakPolarHBondContact SG-CA 3.32Å; C16-C59 WeakPolarHBondContact SG-CB 3.19Å; C16-C59 CovalentContact SG-SG 2.02Å; C16-C59 PolarHBondContact SG-SG 3.21Å; C16-F62 HydrophobicContact CB-CD2 3.87Å; C16-F62 HydrophobicContact CB-CE2 4.15Å |
| 17 | S | 82.1 | Confident | 77.4 | Confident | 11 Ų | 11 | 62 Ų | 62 | 8% | 0.077 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65 | -39.3 | 173.7 | -70.8 | 0 | 0 | 0 | 0 | 111.8 | C8 C13 T21 | C8-S17 PolarHBondContact SG-OG 3.4Å; C13-S17 WeakPolarHBondContact O-CB 3.38Å; C13-S17 PolarHBondContact O-N 3.06Å; C13-S17 PolarHBondContact O-OG 2.91Å; S17-T21 WeakPolarHBondContact O-CB 3.43Å; S17-T21 VanDerWaalsContact O-CG2 3.26Å; S17-T21 WeakPolarHBondContact O-CG2 3.4Å; S17-T21 PolarHBondContact O-N 3.19Å; S17-T21 PolarHBondContact O-OG1 3.02Å |
| 18 | D | 81.5 | Confident | 77.7 | Confident | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64 | -47.5 | 173.5 | -172.5 | 94.1 | 0 | 0 | 0 | 112.2 | L14 F15 L20 T21 R22 R39 L44 L47 F51 | L14-D18 WeakPolarHBondContact O-CB 3.35Å; L14-D18 PolarHBondContact O-N 2.86Å; F15-D18 PolarHBondContact O-N 2.96Å; D18-L20 VanDerWaalsContact C-N 3.33Å; D18-L20 PolarHBondContact O-N 2.02Å; D18-T21 WeakPolarHBondContact CA-OG1 3.46Å; D18-T21 PolarHBondContact O-N 3.41Å; D18-T21 PolarHBondContact O-OG1 3.49Å; D18-R22 WeakPolarHBondContact O-CG 3.25Å; D18-R22 PolarHBondContact O-N 2.78Å; D18-R22 IonicContact OD1-NE 2.79Å; D18-R22 IonicContact OD1-NH2 2.99Å; D18-R22 WeakPolarHBondContact OD2-CD 3.03Å; D18-R22 IonicContact OD2-CZ 2.61Å; D18-R22 IonicContact OD2-NE 3.62Å; D18-R22 PolarHBondContact OD2-NE 3.45Å; D18-R22 IonicContact OD2-NH2 2.71Å; D18-R39 IonicContact OD1-CZ 3.68Å; D18-R39 IonicContact OD1-NH1 2.74Å; D18-R39 PolarHBondContact OD1-NH1 3.37Å; D18-R39 IonicContact OD1-NH2 3.73Å; D18-R39 PolarHBondContact OD1-NH2 3.09Å; D18-L44 HydrophobicContact CB-CD1 4.4Å; D18-L47 HydrophobicContact CB-CD1 4.02Å; D18-L47 HydrophobicContact CB-CD2 3.99Å; D18-F51 HydrophobicContact CB-CE2 4.11Å; D18-F51 HydrophobicContact CB-CZ 3.72Å; D18-F51 VanDerWaalsContact CG-CE2 3.44Å; D18-F51 VanDerWaalsContact CG-CZ 3.41Å; D18-F51 WeakPolarHBondContact OD2-CE2 3.36Å; D18-F51 WeakPolarHBondContact OD2-CZ 3.25Å |
| 19 | L | 78.6 | Confident | 78.2 | Confident | 57 Ų | 57 | 68 Ų | 68 | 30% | 0.298 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -58 | -47.1 | 177.2 | -175.2 | 66.4 | 0 | 0 | 0 | 111.1 | F15 C16 R22 R23 | F15-L19 WeakPolarHBondContact O-CB 3.4Å; F15-L19 PolarHBondContact O-N 3.34Å; C16-L19 PolarHBondContact O-N 3.39Å; L19-R22 PolarHBondContact O-N 3.16Å; L19-R23 VanDerWaalsContact O-CG 3.31Å; L19-R23 WeakPolarHBondContact O-CG 3.13Å; L19-R23 PolarHBondContact O-N 2.96Å; L19-R23 VanDerWaalsContact O-N 3.11Å |
| 20 | L | 80.8 | Confident | 78.4 | Confident | 44 Ų | 44 | 59.8 Ų | 59.8 | 23% | 0.23 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.7 | -50.4 | 178.5 | 177.4 | 54.9 | 0 | 0 | 0 | 111.9 | C16 D18 R22 R23 L24 F62 F64 | C16-L20 VanDerWaalsContact O-CB 3.3Å; C16-L20 WeakPolarHBondContact O-CB 3.44Å; C16-L20 PolarHBondContact O-N 2.05Å; D18-L20 VanDerWaalsContact C-N 3.33Å; D18-L20 PolarHBondContact O-N 2.02Å; L20-R22 VanDerWaalsContact C-N 3.31Å; L20-R22 PolarHBondContact O-N 3.37Å; L20-R23 PolarHBondContact O-N 2.92Å; L20-R23 VanDerWaalsContact O-N 3.09Å; L20-L24 HydrophobicContact CD1-CD1 4.06Å; L20-L24 HydrophobicContact CD1-CD2 4.45Å; L20-L24 HydrophobicContact CD1-CG 3.99Å; L20-L24 HydrophobicContact CG-CD1 4.04Å; L20-L24 HydrophobicContact CG-CG 4.42Å; L20-L24 WeakPolarHBondContact O-CG 3.12Å; L20-L24 PolarHBondContact O-N 3.45Å; L20-F62 HydrophobicContact CD2-CD1 4.49Å; L20-F62 HydrophobicContact CD2-CE1 3.95Å; L20-F62 HydrophobicContact CD2-CZ 4.09Å; L20-F64 HydrophobicContact CB-CE2 4.35Å; L20-F64 HydrophobicContact CD1-CE2 4.15Å; L20-F64 HydrophobicContact CD1-CZ 3.62Å |
| 21 | T | 83.2 | Confident | 78.9 | Confident | 4 Ų | 4 | 61.6 Ų | 61.6 | 3% | 0.025 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.8 | -39.3 | -178.8 | 51.2 | 0 | 0 | 0 | 0 | 112.1 | S17 D18 L24 K25 V38 R39 L42 L44 | S17-T21 WeakPolarHBondContact O-CB 3.43Å; S17-T21 VanDerWaalsContact O-CG2 3.26Å; S17-T21 WeakPolarHBondContact O-CG2 3.4Å; S17-T21 PolarHBondContact O-N 3.19Å; S17-T21 PolarHBondContact O-OG1 3.02Å; D18-T21 WeakPolarHBondContact CA-OG1 3.46Å; D18-T21 PolarHBondContact O-N 3.41Å; D18-T21 PolarHBondContact O-OG1 3.49Å; T21-L24 PolarHBondContact O-N 2.77Å; T21-K25 PolarHBondContact O-N 3.45Å; T21-V38 HydrophobicContact CG2-CG1 3.67Å; T21-R39 PolarHBondContact OG1-NH1 2.91Å; T21-L42 HydrophobicContact CG2-CD1 3.98Å; T21-L44 HydrophobicContact CG2-CD1 4.31Å |
| 22 | R | 81.9 | Confident | 79.5 | Confident | 123 Ų | 123 | 61.9 Ų | 61.9 | 46% | 0.464 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.5 | -40.5 | 173.8 | -71.7 | -179.9 | -171.9 | -95.7 | -1.2 | 112.6 | D18 L19 L20 K25 Q26 F35 | D18-R22 WeakPolarHBondContact O-CG 3.25Å; D18-R22 PolarHBondContact O-N 2.78Å; D18-R22 IonicContact OD1-NE 2.79Å; D18-R22 IonicContact OD1-NH2 2.99Å; D18-R22 WeakPolarHBondContact OD2-CD 3.03Å; D18-R22 IonicContact OD2-CZ 2.61Å; D18-R22 IonicContact OD2-NE 3.62Å; D18-R22 PolarHBondContact OD2-NE 3.45Å; D18-R22 IonicContact OD2-NH2 2.71Å; L19-R22 PolarHBondContact O-N 3.16Å; L20-R22 VanDerWaalsContact C-N 3.31Å; L20-R22 PolarHBondContact O-N 3.37Å; R22-K25 PolarHBondContact O-N 2.71Å; R22-Q26 WeakPolarHBondContact O-CG 3.3Å; R22-Q26 PolarHBondContact O-N 3.12Å; R22-F35 HydrophobicContact CG-CE2 4.48Å; R22-F35 HydrophobicContact CG-CZ 4.46Å |
| 23 | R | 75.3 | Confident | 80.2 | Confident | 126 Ų | 126 | 66.1 Ų | 66.1 | 48% | 0.475 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -66.5 | -43.3 | 177.3 | -69.9 | -60.6 | -172.8 | 179.7 | 8 | 112 | L19 L20 K25 Q26 L27 | L19-R23 VanDerWaalsContact O-CG 3.31Å; L19-R23 WeakPolarHBondContact O-CG 3.13Å; L19-R23 PolarHBondContact O-N 2.96Å; L19-R23 VanDerWaalsContact O-N 3.11Å; L20-R23 PolarHBondContact O-N 2.92Å; L20-R23 VanDerWaalsContact O-N 3.09Å; R23-K25 VanDerWaalsContact C-N 3.31Å; R23-K25 PolarHBondContact O-N 3.39Å; R23-Q26 WeakPolarHBondContact O-CB 3.19Å; R23-Q26 PolarHBondContact O-N 2.97Å; R23-L27 WeakPolarHBondContact O-CG 2.96Å; R23-L27 PolarHBondContact O-N 2.75Å |
| 24 | L | 78.4 | Confident | 80.7 | Confident | 54 Ų | 54 | 69.8 Ų | 69.8 | 28% | 0.283 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.9 | -40.7 | 176 | -67.8 | 173.4 | 0 | 0 | 0 | 111.7 | L20 T21 L27 G28 L29 L30 | L20-L24 HydrophobicContact CD1-CD1 4.06Å; L20-L24 HydrophobicContact CD1-CD2 4.45Å; L20-L24 HydrophobicContact CD1-CG 3.99Å; L20-L24 HydrophobicContact CG-CD1 4.04Å; L20-L24 HydrophobicContact CG-CG 4.42Å; L20-L24 WeakPolarHBondContact O-CG 3.12Å; L20-L24 PolarHBondContact O-N 3.45Å; T21-L24 PolarHBondContact O-N 2.77Å; L24-L27 PolarHBondContact O-N 3.48Å; L24-G28 PolarHBondContact O-N 3.13Å; L24-L29 HydrophobicContact CB-CB 4.41Å; L24-L29 HydrophobicContact CD2-CB 4.33Å; L24-L29 HydrophobicContact CD2-CD1 3.69Å; L24-L29 PolarHBondContact O-N 3.39Å; L24-L30 HydrophobicContact CB-CD1 3.75Å; L24-L30 HydrophobicContact CB-CG 3.9Å; L24-L30 HydrophobicContact CD1-CD1 4.19Å |
| 25 | K | 82.2 | Confident | 81 | Confident | 68 Ų | 68 | 69.4 Ų | 69.4 | 30% | 0.296 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.1 | -44.5 | 172.6 | -175.7 | 179.5 | -176.7 | 175.1 | 0 | 112.5 | T21 R22 R23 L27 G28 E32 F35 | T21-K25 PolarHBondContact O-N 3.45Å; R22-K25 PolarHBondContact O-N 2.71Å; R23-K25 VanDerWaalsContact C-N 3.31Å; R23-K25 PolarHBondContact O-N 3.39Å; K25-L27 PolarHBondContact O-N 3.29Å; K25-G28 PolarHBondContact O-N 3.22Å; K25-E32 WeakPolarHBondContact CE-OE2 3.33Å; K25-E32 IonicContact NZ-OE1 2.69Å; K25-E32 PolarHBondContact NZ-OE1 3.03Å; K25-E32 IonicContact NZ-OE2 3.12Å; K25-E32 PolarHBondContact NZ-OE2 3.05Å; K25-F35 HydrophobicContact CB-CD2 3.78Å; K25-F35 HydrophobicContact CB-CE2 4.06Å; K25-F35 HydrophobicContact CB-CG 4.41Å; K25-F35 HydrophobicContact CD-CB 4.25Å; K25-F35 HydrophobicContact CD-CD1 3.79Å; K25-F35 HydrophobicContact CD-CD2 3.72Å; K25-F35 HydrophobicContact CD-CE1 3.95Å; K25-F35 HydrophobicContact CD-CE2 3.87Å; K25-F35 HydrophobicContact CD-CG 3.66Å; K25-F35 HydrophobicContact CD-CZ 3.97Å; K25-F35 HydrophobicContact CG-CD2 4.25Å; K25-F35 HydrophobicContact CG-CG 4.42Å |
| 26 | Q | 73.8 | Confident | 81.6 | Confident | 137 Ų | 137 | 72.5 Ų | 72.5 | 64% | 0.64 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -60.1 | -32.9 | 176.4 | -77.7 | 177.4 | -7.7 | 0 | 0 | 113 | R22 R23 G28 | R22-Q26 WeakPolarHBondContact O-CG 3.3Å; R22-Q26 PolarHBondContact O-N 3.12Å; R23-Q26 WeakPolarHBondContact O-CB 3.19Å; R23-Q26 PolarHBondContact O-N 2.97Å; Q26-G28 VanDerWaalsContact C-N 3.27Å |
| 27 | L | 76.6 | Confident | 82 | Confident | 132 Ų | 132 | 74.8 Ų | 74.8 | 69% | 0.691 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | 1.1 | 176.2 | -66.7 | 173.8 | 0 | 0 | 0 | 113.2 | R23 L24 K25 L29 | R23-L27 WeakPolarHBondContact O-CG 2.96Å; R23-L27 PolarHBondContact O-N 2.75Å; L24-L27 PolarHBondContact O-N 3.48Å; K25-L27 PolarHBondContact O-N 3.29Å; L27-L29 VanDerWaalsContact C-N 3.25Å; L27-L29 HydrophobicContact CB-CD1 4.32Å; L27-L29 HydrophobicContact CB-CG 4.24Å; L27-L29 PolarHBondContact O-N 3.44Å |
| 28 | G | 78.7 | Confident | 82.2 | Confident | 62 Ų | 62 | 76.5 Ų | 76.5 | 64% | 0.639 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.2 | 11.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | L24 K25 Q26 | L24-G28 PolarHBondContact O-N 3.13Å; K25-G28 PolarHBondContact O-N 3.22Å; Q26-G28 VanDerWaalsContact C-N 3.27Å |
| 29 | L | 81 | Confident | 82.4 | Confident | 118 Ų | 118 | 78 Ų | 78 | 62% | 0.618 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -81.1 | -18.1 | 179.7 | -63.7 | 175 | 0 | 0 | 0 | 112.9 | L24 L27 | L24-L29 HydrophobicContact CB-CB 4.41Å; L24-L29 HydrophobicContact CD2-CB 4.33Å; L24-L29 HydrophobicContact CD2-CD1 3.69Å; L24-L29 PolarHBondContact O-N 3.39Å; L27-L29 VanDerWaalsContact C-N 3.25Å; L27-L29 HydrophobicContact CB-CD1 4.32Å; L27-L29 HydrophobicContact CB-CG 4.24Å; L27-L29 PolarHBondContact O-N 3.44Å |
| 30 | L | 80.4 | Confident | 82.7 | Confident | 26 Ų | 26 | 80.7 Ų | 80.7 | 14% | 0.136 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -121.7 | 118.5 | 169.6 | -63.3 | 175.2 | 0 | 0 | 0 | 108.4 | L24 K34 F35 V38 | L24-L30 HydrophobicContact CB-CD1 3.75Å; L24-L30 HydrophobicContact CB-CG 3.9Å; L24-L30 HydrophobicContact CD1-CD1 4.19Å; L30-K34 HydrophobicContact CD2-CB 4.03Å; L30-F35 HydrophobicContact CB-CB 4.22Å; L30-F35 HydrophobicContact CD1-CD2 4.38Å; L30-V38 HydrophobicContact CD2-CG2 4.38Å |
| 31 | D | 86.8 | Confident | 82.8 | Confident | 70 Ų | 70 | 85.2 Ų | 85.2 | 37% | 0.374 | 42% | 0.419 | S | S | . | . | trans | -66.4 | 171.2 | 162.3 | 54.6 | 44.9 | 0 | 0 | 0 | 110.6 | E33 K34 F35 | D31-E33 VanDerWaalsContact C-N 3.3Å; D31-E33 PolarHBondContact O-N 3.33Å; D31-E33 PolarHBondContact OD1-N 3.03Å; D31-K34 PolarHBondContact O-N 3.35Å; D31-K34 WeakPolarHBondContact OD1-CB 3.23Å; D31-K34 WeakPolarHBondContact OD1-CG 3.24Å; D31-K34 PolarHBondContact OD1-N 2.74Å; D31-K34 WeakPolarHBondContact OD2-CD 3.46Å; D31-K34 WeakPolarHBondContact OD2-CE 3.16Å; D31-K34 IonicContact OD2-NZ 3.32Å; D31-K34 PolarHBondContact OD2-NZ 2.95Å; D31-F35 WeakPolarHBondContact O-CB 3.31Å; D31-F35 PolarHBondContact O-N 3.38Å | ||
| 32 | E | 86.2 | Confident | 82.8 | Confident | 105 Ų | 105 | 86.8 Ų | 86.8 | 49% | 0.491 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -59.9 | -40.5 | -175.6 | -164.3 | 64.7 | -126.8 | 0 | 0 | 112.3 | K25 F35 I36 | K25-E32 WeakPolarHBondContact CE-OE2 3.33Å; K25-E32 IonicContact NZ-OE1 2.69Å; K25-E32 PolarHBondContact NZ-OE1 3.03Å; K25-E32 IonicContact NZ-OE2 3.12Å; K25-E32 PolarHBondContact NZ-OE2 3.05Å; E32-F35 PolarHBondContact O-N 3.01Å; E32-I36 HydrophobicContact CG-CD1 4.21Å; E32-I36 VanDerWaalsContact O-CG1 3.3Å; E32-I36 WeakPolarHBondContact O-CG1 3.24Å; E32-I36 PolarHBondContact O-N 2.94Å |
| 33 | E | 87.6 | Confident | 82.6 | Confident | 161 Ų | 161 | 83 Ų | 83 | 75% | 0.752 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -68.3 | -48.5 | -177.7 | -169.7 | -179.1 | 179.4 | 0 | 0 | 111.7 | D31 F35 I36 S37 | D31-E33 VanDerWaalsContact C-N 3.3Å; D31-E33 PolarHBondContact O-N 3.33Å; D31-E33 PolarHBondContact OD1-N 3.03Å; E33-F35 VanDerWaalsContact C-N 3.3Å; E33-F35 PolarHBondContact O-N 2.92Å; E33-I36 PolarHBondContact O-N 3.4Å; E33-S37 WeakPolarHBondContact O-CB 3.46Å; E33-S37 PolarHBondContact O-N 3.11Å |
| 34 | K | 88.5 | Confident | 82.6 | Confident | 116 Ų | 116 | 77 Ų | 77 | 50% | 0.504 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64.7 | -36.8 | 175 | -70.1 | 173.7 | -169.1 | 134.1 | 0 | 111.3 | L30 D31 S37 V38 | L30-K34 HydrophobicContact CD2-CB 4.03Å; D31-K34 PolarHBondContact O-N 3.35Å; D31-K34 WeakPolarHBondContact OD1-CB 3.23Å; D31-K34 WeakPolarHBondContact OD1-CG 3.24Å; D31-K34 PolarHBondContact OD1-N 2.74Å; D31-K34 WeakPolarHBondContact OD2-CD 3.46Å; D31-K34 WeakPolarHBondContact OD2-CE 3.16Å; D31-K34 IonicContact OD2-NZ 3.32Å; D31-K34 PolarHBondContact OD2-NZ 2.95Å; K34-S37 PolarHBondContact O-N 3.5Å; K34-V38 VanDerWaalsContact O-CB 3.32Å; K34-V38 WeakPolarHBondContact O-CB 3.34Å; K34-V38 WeakPolarHBondContact O-CG2 3.43Å; K34-V38 PolarHBondContact O-N 3.34Å |
| 35 | F | 86.7 | Confident | 82.1 | Confident | 22 Ų | 22 | 79.8 Ų | 79.8 | 10% | 0.096 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -59.4 | -47.6 | 175.6 | 176.4 | -105.9 | 0 | 0 | 0 | 111.3 | R22 K25 L30 D31 E32 E33 R39 | R22-F35 HydrophobicContact CG-CE2 4.48Å; R22-F35 HydrophobicContact CG-CZ 4.46Å; K25-F35 HydrophobicContact CB-CD2 3.78Å; K25-F35 HydrophobicContact CB-CE2 4.06Å; K25-F35 HydrophobicContact CB-CG 4.41Å; K25-F35 HydrophobicContact CD-CB 4.25Å; K25-F35 HydrophobicContact CD-CD1 3.79Å; K25-F35 HydrophobicContact CD-CD2 3.72Å; K25-F35 HydrophobicContact CD-CE1 3.95Å; K25-F35 HydrophobicContact CD-CE2 3.87Å; K25-F35 HydrophobicContact CD-CG 3.66Å; K25-F35 HydrophobicContact CD-CZ 3.97Å; K25-F35 HydrophobicContact CG-CD2 4.25Å; K25-F35 HydrophobicContact CG-CG 4.42Å; L30-F35 HydrophobicContact CB-CB 4.22Å; L30-F35 HydrophobicContact CD1-CD2 4.38Å; D31-F35 WeakPolarHBondContact O-CB 3.31Å; D31-F35 PolarHBondContact O-N 3.38Å; E32-F35 PolarHBondContact O-N 3.01Å; E33-F35 VanDerWaalsContact C-N 3.3Å; E33-F35 PolarHBondContact O-N 2.92Å; F35-R39 VanDerWaalsContact CE1-CD 3.48Å; F35-R39 HydrophobicContact CE2-CG 4.43Å; F35-R39 VanDerWaalsContact CZ-CD 3.42Å; F35-R39 WeakPolarHBondContact O-CB 3.02Å; F35-R39 WeakPolarHBondContact O-CG 3.19Å; F35-R39 PolarHBondContact O-N 2.96Å; F35-R39 VanDerWaalsContact O-N 3.13Å |
| 36 | I | 86.7 | Confident | 81.2 | Confident | 84 Ų | 84 | 84.6 Ų | 84.6 | 43% | 0.431 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -64.2 | -46.2 | 177 | -65.8 | 165.7 | 0 | 0 | 0 | 110.8 | E32 E33 R39 Q40 | E32-I36 HydrophobicContact CG-CD1 4.21Å; E32-I36 VanDerWaalsContact O-CG1 3.3Å; E32-I36 WeakPolarHBondContact O-CG1 3.24Å; E32-I36 PolarHBondContact O-N 2.94Å; E33-I36 PolarHBondContact O-N 3.4Å; I36-R39 PolarHBondContact O-N 3.06Å; I36-Q40 PolarHBondContact O-N 3.19Å |
| 37 | S | 85.9 | Confident | 80.6 | Confident | 50 Ų | 50 | 78.3 Ų | 78.3 | 35% | 0.35 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -60.7 | -47.3 | -179.5 | -179 | 0 | 0 | 0 | 0 | 112.9 | E33 K34 R39 Q40 K41 | E33-S37 WeakPolarHBondContact O-CB 3.46Å; E33-S37 PolarHBondContact O-N 3.11Å; K34-S37 PolarHBondContact O-N 3.5Å; S37-R39 VanDerWaalsContact C-N 3.32Å; S37-R39 PolarHBondContact O-N 3.46Å; S37-Q40 PolarHBondContact O-N 2.97Å; S37-K41 WeakPolarHBondContact O-CG 3.41Å; S37-K41 PolarHBondContact O-N 3.42Å |
| 38 | V | 85.3 | Confident | 79.7 | Confident | 47 Ų | 47 | 76.2 Ų | 76.2 | 29% | 0.285 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.9 | -41.1 | 177.8 | 171.4 | 0 | 0 | 0 | 0 | 110.5 | T21 L30 K34 K41 L42 | T21-V38 HydrophobicContact CG2-CG1 3.67Å; L30-V38 HydrophobicContact CD2-CG2 4.38Å; K34-V38 VanDerWaalsContact O-CB 3.32Å; K34-V38 WeakPolarHBondContact O-CB 3.34Å; K34-V38 WeakPolarHBondContact O-CG2 3.43Å; K34-V38 PolarHBondContact O-N 3.34Å; V38-K41 PolarHBondContact O-N 3.04Å; V38-L42 HydrophobicContact CG1-CD1 3.64Å; V38-L42 HydrophobicContact CG1-CG 4.39Å; V38-L42 WeakPolarHBondContact O-CB 3.32Å; V38-L42 VanDerWaalsContact O-CG 3.25Å; V38-L42 WeakPolarHBondContact O-CG 3.46Å; V38-L42 PolarHBondContact O-N 3.47Å |
| 39 | R | 85.9 | Confident | 78.5 | Confident | 33 Ų | 33 | 80.6 Ų | 80.6 | 13% | 0.125 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -64.9 | -42 | 177.9 | -73.4 | 179.5 | 71.6 | 78 | 8.7 | 112.8 | D18 T21 F35 I36 S37 L42 G43 L44 | D18-R39 IonicContact OD1-CZ 3.68Å; D18-R39 IonicContact OD1-NH1 2.74Å; D18-R39 PolarHBondContact OD1-NH1 3.37Å; D18-R39 IonicContact OD1-NH2 3.73Å; D18-R39 PolarHBondContact OD1-NH2 3.09Å; T21-R39 PolarHBondContact OG1-NH1 2.91Å; F35-R39 VanDerWaalsContact CE1-CD 3.48Å; F35-R39 HydrophobicContact CE2-CG 4.43Å; F35-R39 VanDerWaalsContact CZ-CD 3.42Å; F35-R39 WeakPolarHBondContact O-CB 3.02Å; F35-R39 WeakPolarHBondContact O-CG 3.19Å; F35-R39 PolarHBondContact O-N 2.96Å; F35-R39 VanDerWaalsContact O-N 3.13Å; I36-R39 PolarHBondContact O-N 3.06Å; S37-R39 VanDerWaalsContact C-N 3.32Å; S37-R39 PolarHBondContact O-N 3.46Å; R39-L42 PolarHBondContact O-N 2.99Å; R39-G43 PolarHBondContact O-N 3.33Å; R39-G43 VanDerWaalsContact O-N 3.14Å; R39-L44 HydrophobicContact CB-CB 4.1Å; R39-L44 HydrophobicContact CB-CD1 4.44Å; R39-L44 HydrophobicContact CG-CB 4.35Å; R39-L44 HydrophobicContact CG-CD1 4.08Å; R39-L44 PolarHBondContact NH2-O 3.3Å; R39-L44 WeakPolarHBondContact O-CB 3.48Å; R39-L44 PolarHBondContact O-N 3.26Å |
| 40 | Q | 84.7 | Confident | 77.1 | Confident | 112 Ų | 112 | 76.5 Ų | 76.5 | 52% | 0.523 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.3 | -45.8 | 175.3 | -80.6 | -177.7 | -18.8 | 0 | 0 | 111.6 | I36 S37 L42 G43 | I36-Q40 PolarHBondContact O-N 3.19Å; S37-Q40 PolarHBondContact O-N 2.97Å; Q40-L42 VanDerWaalsContact C-N 3.27Å; Q40-L42 PolarHBondContact O-N 2.93Å; Q40-G43 PolarHBondContact O-N 2.76Å |
| 41 | K | 83.6 | Confident | 75.8 | Confident | 139 Ų | 139 | 78.3 Ų | 78.3 | 60% | 0.604 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -60.5 | -35.8 | 177.2 | -72.8 | -178.9 | -178.5 | -176.8 | 0 | 112.9 | S37 V38 G43 | S37-K41 WeakPolarHBondContact O-CG 3.41Å; S37-K41 PolarHBondContact O-N 3.42Å; V38-K41 PolarHBondContact O-N 3.04Å; K41-G43 VanDerWaalsContact C-N 3.29Å |
| 42 | L | 82.7 | Confident | 74.2 | Confident | 38 Ų | 38 | 86 Ų | 86 | 20% | 0.199 | 43% | 0.428 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -3.8 | 178.6 | -67.8 | 171.9 | 0 | 0 | 0 | 113.5 | C8 T21 V38 R39 Q40 L44 | C8-L42 PolarHBondContact N-O 3.27Å; T21-L42 HydrophobicContact CG2-CD1 3.98Å; V38-L42 HydrophobicContact CG1-CD1 3.64Å; V38-L42 HydrophobicContact CG1-CG 4.39Å; V38-L42 WeakPolarHBondContact O-CB 3.32Å; V38-L42 VanDerWaalsContact O-CG 3.25Å; V38-L42 WeakPolarHBondContact O-CG 3.46Å; V38-L42 PolarHBondContact O-N 3.47Å; R39-L42 PolarHBondContact O-N 2.99Å; Q40-L42 VanDerWaalsContact C-N 3.27Å; Q40-L42 PolarHBondContact O-N 2.93Å; L42-L44 HydrophobicContact CB-CD1 3.85Å; L42-L44 HydrophobicContact CB-CD2 4.23Å; L42-L44 HydrophobicContact CB-CG 3.64Å; L42-L44 HydrophobicContact CD1-CD1 4.02Å |
| 43 | G | 77.2 | Confident | 72.4 | Confident | 43 Ų | 43 | 86.8 Ų | 86.8 | 44% | 0.443 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.4 | 24.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | R39 Q40 K41 N45 | R39-G43 PolarHBondContact O-N 3.33Å; R39-G43 VanDerWaalsContact O-N 3.14Å; Q40-G43 PolarHBondContact O-N 2.76Å; K41-G43 VanDerWaalsContact C-N 3.29Å; G43-N45 VanDerWaalsContact C-N 3.26Å; G43-N45 PolarHBondContact O-N 3.37Å |
| 44 | L | 76.1 | Confident | 70.6 | Confident | 1 Ų | 1 | 81.4 Ų | 81.4 | 1% | 0.005 | 42% | 0.418 | C | S | . | . | G | 310 helix | trans | -86.3 | 21.4 | -169.9 | -54.9 | 177.6 | 0 | 0 | 0 | 114.7 | L14 D18 T21 R39 L42 Q46 L47 | L14-L44 HydrophobicContact CB-CD2 4.48Å; L14-L44 HydrophobicContact CD2-CD2 3.83Å; L14-L44 WeakPolarHBondContact O-CD2 3.44Å; D18-L44 HydrophobicContact CB-CD1 4.4Å; T21-L44 HydrophobicContact CG2-CD1 4.31Å; R39-L44 HydrophobicContact CB-CB 4.1Å; R39-L44 HydrophobicContact CB-CD1 4.44Å; R39-L44 HydrophobicContact CG-CB 4.35Å; R39-L44 HydrophobicContact CG-CD1 4.08Å; R39-L44 PolarHBondContact NH2-O 3.3Å; R39-L44 WeakPolarHBondContact O-CB 3.48Å; R39-L44 PolarHBondContact O-N 3.26Å; L42-L44 HydrophobicContact CB-CD1 3.85Å; L42-L44 HydrophobicContact CB-CD2 4.23Å; L42-L44 HydrophobicContact CB-CG 3.64Å; L42-L44 HydrophobicContact CD1-CD1 4.02Å; L44-Q46 PolarHBondContact O-N 2.98Å; L44-L47 VanDerWaalsContact CA-CD1 3.42Å; L44-L47 HydrophobicContact CB-CD1 3.41Å; L44-L47 VanDerWaalsContact CB-CD1 3.41Å; L44-L47 HydrophobicContact CD2-CD1 3.23Å; L44-L47 HydrophobicContact CG-CD1 3.84Å |
| 45 | N | 68.2 | Low | 68.8 | Low | 112 Ų | 112 | 77.9 Ų | 77.9 | 60% | 0.599 | 41% | 0.414 | S | S | * | . | G | 310 helix | trans | -75.6 | -24.6 | -169.8 | -62.7 | -17.4 | 0 | 0 | 0 | 113.5 | G43 | G43-N45 VanDerWaalsContact C-N 3.26Å; G43-N45 PolarHBondContact O-N 3.37Å |
| 46 | Q | 63.5 | Low | 67.4 | Low | 169 Ų | 169 | 85 Ų | 85 | 79% | 0.79 | 45% | 0.448 | S | S | * | . | G | 310 helix | trans | -118.3 | 29.2 | -174.4 | -69.5 | -177.4 | -10.8 | 0 | 0 | 114.1 | L44 A48 | L44-Q46 PolarHBondContact O-N 2.98Å; Q46-A48 PolarHBondContact O-N 2.74Å |
| 47 | L | 60.6 | Low | 66 | Low | 5 Ų | 5 | 82.5 Ų | 82.5 | 3% | 0.026 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -76.9 | -14.7 | -172.9 | -100.7 | 130 | 0 | 0 | 0 | 116.9 | L14 D18 L44 E49 I50 F51 | L14-L47 HydrophobicContact CB-CD1 4.48Å; L14-L47 HydrophobicContact CB-CD2 4.21Å; D18-L47 HydrophobicContact CB-CD1 4.02Å; D18-L47 HydrophobicContact CB-CD2 3.99Å; L44-L47 VanDerWaalsContact CA-CD1 3.42Å; L44-L47 HydrophobicContact CB-CD1 3.41Å; L44-L47 VanDerWaalsContact CB-CD1 3.41Å; L44-L47 HydrophobicContact CD2-CD1 3.23Å; L44-L47 HydrophobicContact CG-CD1 3.84Å; L47-E49 PolarHBondContact O-N 2.74Å; L47-E49 VanDerWaalsContact O-N 3.12Å; L47-I50 HydrophobicContact CD2-CB 4.12Å; L47-I50 HydrophobicContact CD2-CD1 4.17Å; L47-I50 HydrophobicContact CD2-CG2 4.32Å; L47-I50 HydrophobicContact CG-CD1 4.09Å; L47-I50 PolarHBondContact O-N 3.37Å; L47-F51 HydrophobicContact CB-CD2 4.28Å; L47-F51 HydrophobicContact CB-CE2 3.93Å; L47-F51 HydrophobicContact CD2-CD2 4.29Å; L47-F51 HydrophobicContact CD2-CE2 3.68Å; L47-F51 HydrophobicContact CD2-CZ 4Å; L47-F51 HydrophobicContact CG-CE2 4.4Å; L47-F51 WeakPolarHBondContact O-CD2 3.26Å; L47-F51 PolarHBondContact O-N 3.46Å |
| 48 | A | 57.8 | Low | 64.8 | Low | 88 Ų | 88 | 83.6 Ų | 83.6 | 73% | 0.727 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -55.7 | -33.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q46 | Q46-A48 PolarHBondContact O-N 2.74Å |
| 49 | E | 52.7 | Low | 63.8 | Low | 154 Ų | 154 | 82 Ų | 82 | 72% | 0.72 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -76.6 | -37.6 | 177.3 | -64.3 | -171 | 160.7 | 0 | 0 | 112.9 | L47 F51 R52 V53 | L47-E49 PolarHBondContact O-N 2.74Å; L47-E49 VanDerWaalsContact O-N 3.12Å; E49-F51 VanDerWaalsContact C-N 3.31Å; E49-F51 PolarHBondContact O-N 3.37Å; E49-R52 PolarHBondContact O-N 3.13Å; E49-R52 VanDerWaalsContact O-N 3.13Å; E49-V53 PolarHBondContact O-N 3.35Å |
| 50 | I | 51.3 | Low | 62.7 | Low | 31 Ų | 31 | 88 Ų | 88 | 16% | 0.159 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -61.7 | -40.4 | -178.9 | -58.9 | -177 | 0 | 0 | 0 | 110.8 | L11 L14 L47 R52 V53 V54 | L11-I50 HydrophobicContact CD2-CD1 4.22Å; L11-I50 HydrophobicContact CD2-CG2 4.07Å; L14-I50 HydrophobicContact CB-CD1 4.42Å; L14-I50 HydrophobicContact CD1-CD1 3.81Å; L47-I50 HydrophobicContact CD2-CB 4.12Å; L47-I50 HydrophobicContact CD2-CD1 4.17Å; L47-I50 HydrophobicContact CD2-CG2 4.32Å; L47-I50 HydrophobicContact CG-CD1 4.09Å; L47-I50 PolarHBondContact O-N 3.37Å; I50-R52 PolarHBondContact O-N 2.73Å; I50-V53 PolarHBondContact O-N 3.32Å; I50-V54 HydrophobicContact CG2-CG2 3.78Å; I50-V54 WeakPolarHBondContact O-CG2 3.4Å; I50-V54 PolarHBondContact O-N 3.27Å |
| 51 | F | 53 | Low | 61.3 | Low | 65 Ų | 65 | 92.4 Ų | 92.4 | 29% | 0.285 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.4 | -29.6 | 178.4 | -75.7 | -67.3 | 0 | 0 | 0 | 113.9 | F15 D18 L47 E49 | F15-F51 AromaticContact CD2-CD1 3.77Å; F15-F51 HydrophobicContact CD2-CD1 3.77Å; F15-F51 AromaticContact CD2-CE1 3.37Å; F15-F51 HydrophobicContact CD2-CE1 3.37Å; F15-F51 HydrophobicContact CD2-CZ 4.28Å; F15-F51 AromaticContact CE2-CD1 3.67Å; F15-F51 HydrophobicContact CE2-CD1 3.67Å; F15-F51 AromaticContact CE2-CE1 3.43Å; F15-F51 HydrophobicContact CE2-CE1 3.43Å; F15-F51 VanDerWaalsContact CE2-CE1 3.43Å; F15-F51 HydrophobicContact CG-CE1 4.31Å; F15-F51 HydrophobicContact CZ-CE1 4.39Å; D18-F51 HydrophobicContact CB-CE2 4.11Å; D18-F51 HydrophobicContact CB-CZ 3.72Å; D18-F51 VanDerWaalsContact CG-CE2 3.44Å; D18-F51 VanDerWaalsContact CG-CZ 3.41Å; D18-F51 WeakPolarHBondContact OD2-CE2 3.36Å; D18-F51 WeakPolarHBondContact OD2-CZ 3.25Å; L47-F51 HydrophobicContact CB-CD2 4.28Å; L47-F51 HydrophobicContact CB-CE2 3.93Å; L47-F51 HydrophobicContact CD2-CD2 4.29Å; L47-F51 HydrophobicContact CD2-CE2 3.68Å; L47-F51 HydrophobicContact CD2-CZ 4Å; L47-F51 HydrophobicContact CG-CE2 4.4Å; L47-F51 WeakPolarHBondContact O-CD2 3.26Å; L47-F51 PolarHBondContact O-N 3.46Å; E49-F51 VanDerWaalsContact C-N 3.31Å; E49-F51 PolarHBondContact O-N 3.37Å |
| 52 | R | 53.9 | Low | 59.8 | Low | 231 Ų | 231 | 88.9 Ų | 88.9 | 87% | 0.872 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -74.3 | -33.5 | 178.8 | -152.5 | -178.6 | 84.3 | 137.9 | 3 | 111.7 | E49 I50 | E49-R52 PolarHBondContact O-N 3.13Å; E49-R52 VanDerWaalsContact O-N 3.13Å; I50-R52 PolarHBondContact O-N 2.73Å |
| 53 | V | 49.6 | Very low | 58 | Low | 122 Ų | 122 | 94.6 Ų | 94.6 | 74% | 0.739 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -87.5 | -39.8 | -174.9 | -178.7 | 0 | 0 | 0 | 0 | 112 | E49 I50 | E49-V53 PolarHBondContact O-N 3.35Å; I50-V53 PolarHBondContact O-N 3.32Å |
| 54 | V | 48.2 | Very low | 56.3 | Low | 47 Ų | 47 | 97.1 Ų | 97.1 | 29% | 0.285 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -92.4 | -14.5 | -166.2 | -166.9 | 0 | 0 | 0 | 0 | 114.1 | I50 M57 | I50-V54 HydrophobicContact CG2-CG2 3.78Å; I50-V54 WeakPolarHBondContact O-CG2 3.4Å; I50-V54 PolarHBondContact O-N 3.27Å; V54-M57 HydrophobicContact CB-CE 4.11Å; V54-M57 HydrophobicContact CG1-CB 4.06Å; V54-M57 HydrophobicContact CG1-CE 3.1Å; V54-M57 HydrophobicContact CG1-CG 4.05Å; V54-M57 HydrophobicContact CG1-SD 4.36Å; V54-M57 HydrophobicContact CG2-CE 4.39Å |
| 55 | G | 50.6 | Low | 54.6 | Low | 42 Ų | 42 | 101.4 Ų | 101.4 | 43% | 0.433 | 52% | 0.52 | S | S | . | . | trans | 57.5 | -164.7 | -175 | 0 | 0 | 0 | 0 | 0 | 112 | M57 | G55-M57 PolarHBondContact O-N 3.05Š| ||
| 56 | Q | 57.7 | Low | 53.5 | Low | 171 Ų | 171 | 100.3 Ų | 100.3 | 80% | 0.799 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -71.1 | 91.6 | 176.7 | -68.2 | 178.4 | 11.6 | 0 | 0 | 110.2 | M66 | Q56-M66 HydrophobicContact CB-CE 4.38Š|
| 57 | M | 57.3 | Low | 52.6 | Low | 32 Ų | 32 | 95.1 Ų | 95.1 | 16% | 0.158 | 49% | 0.493 | C | S | . | . | trans | -82.5 | 139.7 | 167.4 | 56 | 152.6 | 70.7 | 0 | 0 | 110.9 | L11 E12 F15 V54 G55 C59 | L11-M57 HydrophobicContact CB-CE 3.95Å; E12-M57 WeakPolarHBondContact CA-SD 3.42Å; E12-M57 HydrophobicContact CB-SD 4.1Å; E12-M57 HydrophobicContact CG-SD 4.19Å; F15-M57 HydrophobicContact CB-CE 4.27Å; F15-M57 HydrophobicContact CB-CG 3.98Å; F15-M57 HydrophobicContact CB-SD 3.4Å; F15-M57 WeakPolarHBondContact CB-SD 3.4Å; F15-M57 HydrophobicContact CD1-CG 3.35Å; F15-M57 HydrophobicContact CD1-SD 3.72Å; F15-M57 HydrophobicContact CD2-CG 3.75Å; F15-M57 HydrophobicContact CD2-SD 4.3Å; F15-M57 HydrophobicContact CE1-CG 3.65Å; F15-M57 WeakPolarHBondContact CE1-O 3.31Å; F15-M57 HydrophobicContact CE2-CG 4.01Å; F15-M57 HydrophobicContact CG-CG 3.41Å; F15-M57 VanDerWaalsContact CG-CG 3.41Å; F15-M57 HydrophobicContact CG-SD 3.56Å; F15-M57 VanDerWaalsContact CG-SD 3.56Å; F15-M57 HydrophobicContact CZ-CG 3.97Å; V54-M57 HydrophobicContact CB-CE 4.11Å; V54-M57 HydrophobicContact CG1-CB 4.06Å; V54-M57 HydrophobicContact CG1-CE 3.1Å; V54-M57 HydrophobicContact CG1-CG 4.05Å; V54-M57 HydrophobicContact CG1-SD 4.36Å; V54-M57 HydrophobicContact CG2-CE 4.39Å; G55-M57 PolarHBondContact O-N 3.05Å; M57-C59 PolarHBondContact O-N 3.42Å | ||
| 58 | P | 60.4 | Low | 52 | Low | 73 Ų | 73 | 100.6 Ų | 100.6 | 47% | 0.474 | 52% | 0.523 | S | S | . | . | trans | -69.7 | 125.1 | 173.8 | 26 | -30.5 | 0 | 0 | 0 | 109.9 | K60 M66 | P58-K60 PolarHBondContact O-N 3.12Å; P58-K60 VanDerWaalsContact O-N 3.12Å; P58-M66 HydrophobicContact CB-CE 3.88Å | ||
| 59 | C | 64.1 | Low | 51.8 | Low | 14 Ų | 14 | 104.9 Ų | 104.9 | 10% | 0.095 | 53% | 0.525 | C | S | . | . | trans | -71 | 101.3 | 163.9 | -68.6 | 0 | 0 | 0 | 0 | 108.7 | C16 M57 F62 | C16-C59 WeakPolarHBondContact CA-SG 3.36Å; C16-C59 HydrophobicContact CB-CB 3.92Å; C16-C59 WeakPolarHBondContact CB-SG 3.49Å; C16-C59 WeakPolarHBondContact SG-CA 3.32Å; C16-C59 WeakPolarHBondContact SG-CB 3.19Å; C16-C59 CovalentContact SG-SG 2.02Å; C16-C59 PolarHBondContact SG-SG 3.21Å; M57-C59 PolarHBondContact O-N 3.42Å; C59-F62 HydrophobicContact CB-CB 4.36Å; C59-F62 WeakPolarHBondContact CB-O 3.45Å; C59-F62 CarbonylContact O-C 3.48Å | ||
| 60 | K | 64.7 | Low | 51.8 | Low | 158 Ų | 158 | 101.6 Ų | 101.6 | 69% | 0.687 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -74.1 | -36.1 | 177.6 | -61.7 | 178.9 | -179.6 | 177.2 | 0 | 110.7 | E12 P58 F62 | E12-K60 WeakPolarHBondContact OE1-CB 3.4Å; E12-K60 PolarHBondContact OE1-N 3.06Å; P58-K60 PolarHBondContact O-N 3.12Å; P58-K60 VanDerWaalsContact O-N 3.12Å; K60-F62 VanDerWaalsContact C-N 3.35Å |
| 61 | R | 54.1 | Low | 52.2 | Low | 205 Ų | 205 | 103.2 Ų | 103.2 | 77% | 0.774 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -69.5 | -33.3 | -178.3 | -164.1 | 175.4 | -174.6 | -164.9 | 0.9 | 113 | ||
| 62 | F | 52.6 | Low | 52.3 | Low | 66 Ų | 66 | 103.7 Ų | 103.7 | 29% | 0.289 | 54% | 0.536 | S | S | . | . | S | Bend | trans | -115.3 | 105 | 172.9 | -54.8 | -85.9 | 0 | 0 | 0 | 107 | C16 L20 C59 K60 F64 | C16-F62 HydrophobicContact CB-CD2 3.87Å; C16-F62 HydrophobicContact CB-CE2 4.15Å; L20-F62 HydrophobicContact CD2-CD1 4.49Å; L20-F62 HydrophobicContact CD2-CE1 3.95Å; L20-F62 HydrophobicContact CD2-CZ 4.09Å; C59-F62 HydrophobicContact CB-CB 4.36Å; C59-F62 WeakPolarHBondContact CB-O 3.45Å; C59-F62 CarbonylContact O-C 3.48Å; K60-F62 VanDerWaalsContact C-N 3.35Å; F62-F64 HydrophobicContact CB-CD2 3.39Å; F62-F64 HydrophobicContact CB-CE2 3.24Å; F62-F64 HydrophobicContact CB-CG 4.33Å; F62-F64 HydrophobicContact CB-CZ 4.06Å; F62-F64 HydrophobicContact CD1-CE2 4.01Å; F62-F64 HydrophobicContact CD1-CZ 4.32Å; F62-F64 HydrophobicContact CD2-CE2 4.41Å; F62-F64 HydrophobicContact CG-CD2 4.26Å; F62-F64 AromaticContact CG-CE2 3.67Å; F62-F64 HydrophobicContact CG-CE2 3.67Å; F62-F64 HydrophobicContact CG-CZ 4.4Å; F62-F64 PolarHBondContact O-N 2.83Å |
| 63 | N | 44.5 | Very low | 52.6 | Low | 157 Ų | 157 | 96.6 Ų | 96.6 | 84% | 0.84 | 52% | 0.516 | S | S | * | . | trans | -64.9 | 57.9 | 167.9 | -85.6 | -23.4 | 0 | 0 | 0 | 110.4 | A65 | N63-A65 PolarHBondContact O-N 3.06Š| ||
| 64 | F | 41.2 | Very low | 53.5 | Low | 97 Ų | 97 | 96.3 Ų | 96.3 | 43% | 0.425 | 51% | 0.509 | S | S | . | . | trans | -68.3 | 96.1 | 154.5 | -63.8 | -59.5 | 0 | 0 | 0 | 103.8 | L20 F62 M66 | L20-F64 HydrophobicContact CB-CE2 4.35Å; L20-F64 HydrophobicContact CD1-CE2 4.15Å; L20-F64 HydrophobicContact CD1-CZ 3.62Å; F62-F64 HydrophobicContact CB-CD2 3.39Å; F62-F64 HydrophobicContact CB-CE2 3.24Å; F62-F64 HydrophobicContact CB-CG 4.33Å; F62-F64 HydrophobicContact CB-CZ 4.06Å; F62-F64 HydrophobicContact CD1-CE2 4.01Å; F62-F64 HydrophobicContact CD1-CZ 4.32Å; F62-F64 HydrophobicContact CD2-CE2 4.41Å; F62-F64 HydrophobicContact CG-CD2 4.26Å; F62-F64 AromaticContact CG-CE2 3.67Å; F62-F64 HydrophobicContact CG-CE2 3.67Å; F62-F64 HydrophobicContact CG-CZ 4.4Å; F62-F64 PolarHBondContact O-N 2.83Å; F64-M66 PolarHBondContact O-N 3.14Å | ||
| 65 | A | 40.5 | Very low | 54.1 | Low | 90 Ų | 90 | 97.5 Ų | 97.5 | 74% | 0.744 | 51% | 0.513 | S | S | * | . | trans | -41.7 | 113.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 106.6 | N63 P67 | N63-A65 PolarHBondContact O-N 3.06Å; A65-P67 WeakPolarHBondContact O-CD 3.29Å | ||
| 66 | M | 45.5 | Very low | 54.6 | Low | 90 Ų | 90 | 102.4 Ų | 102.4 | 44% | 0.443 | 52% | 0.519 | S | S | . | . | trans | -48.5 | 123 | 166.9 | -77.8 | -161 | 178.4 | 0 | 0 | 104.5 | Q56 P58 F64 N68 | Q56-M66 HydrophobicContact CB-CE 4.38Å; P58-M66 HydrophobicContact CB-CE 3.88Å; F64-M66 PolarHBondContact O-N 3.14Å; M66-N68 PolarHBondContact O-N 2.95Å | ||
| 67 | P | 44.2 | Very low | 54.9 | Low | 60 Ų | 60 | 102.1 Ų | 102.1 | 39% | 0.39 | 51% | 0.51 | S | S | . | . | trans | -56.8 | 114 | -178.5 | 17.7 | -27.3 | 0 | 0 | 0 | 106.2 | A65 V71 V72 I75 | A65-P67 WeakPolarHBondContact O-CD 3.29Å; P67-V71 HydrophobicContact CB-CB 3.58Å; P67-V71 HydrophobicContact CB-CG1 3.38Å; P67-V72 HydrophobicContact CB-CG2 4.48Å; P67-V72 HydrophobicContact CG-CG2 4.42Å; P67-V72 WeakPolarHBondContact O-CG2 3.38Å; P67-I75 HydrophobicContact CB-CD1 4.29Å; P67-I75 HydrophobicContact CG-CD1 4.45Å | ||
| 68 | N | 49.3 | Very low | 55.3 | Low | 119 Ų | 119 | 103.1 Ų | 103.1 | 64% | 0.636 | 52% | 0.524 | S | S | * | . | trans | -50.7 | 153.4 | -179 | -92.8 | -31.5 | 0 | 0 | 0 | 109.1 | M66 P70 V71 V72 | M66-N68 PolarHBondContact O-N 2.95Å; N68-P70 HydrophobicContact CB-CG 3.77Å; N68-P70 CarbonylContact O-C 3.57Å; N68-V71 HydrophobicContact CB-CG2 4.49Å; N68-V71 CarbonylContact O-C 3.41Å; N68-V71 VanDerWaalsContact O-CA 3.3Å; N68-V71 WeakPolarHBondContact O-CA 3.29Å; N68-V71 WeakPolarHBondContact O-CB 3.26Å; N68-V71 PolarHBondContact O-N 2.69Å; N68-V72 PolarHBondContact O-N 3.13Å | ||
| 69 | K | 52.5 | Low | 55.3 | Low | 179 Ų | 179 | 106.9 Ų | 106.9 | 78% | 0.778 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -39.2 | -42.7 | 174.5 | -74.9 | -177.5 | 178.6 | 177.7 | 0 | 114.2 | V71 V72 N73 | K69-V71 PolarHBondContact O-N 2.67Å; K69-V72 PolarHBondContact O-N 3.48Å; K69-N73 PolarHBondContact O-N 2.95Å |
| 70 | P | 52.6 | Low | 55 | Low | 85 Ų | 85 | 109.9 Ų | 109.9 | 55% | 0.552 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -57.2 | -42.4 | 170.3 | 17.2 | -32.7 | 0 | 0 | 0 | 114.6 | N68 N73 L74 | N68-P70 HydrophobicContact CB-CG 3.77Å; N68-P70 CarbonylContact O-C 3.57Å; P70-N73 CarbonylContact O-C 3.5Å; P70-N73 PolarHBondContact O-N 3.35Å; P70-L74 WeakPolarHBondContact O-CB 3.21Å; P70-L74 PolarHBondContact O-N 3.27Å |
| 71 | V | 59.3 | Low | 54.6 | Low | 64 Ų | 64 | 110.6 Ų | 110.6 | 39% | 0.388 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -69.7 | -36.8 | 175.9 | -173.9 | 0 | 0 | 0 | 0 | 111.5 | P67 N68 K69 N73 L74 I75 | P67-V71 HydrophobicContact CB-CB 3.58Å; P67-V71 HydrophobicContact CB-CG1 3.38Å; N68-V71 HydrophobicContact CB-CG2 4.49Å; N68-V71 CarbonylContact O-C 3.41Å; N68-V71 VanDerWaalsContact O-CA 3.3Å; N68-V71 WeakPolarHBondContact O-CA 3.29Å; N68-V71 WeakPolarHBondContact O-CB 3.26Å; N68-V71 PolarHBondContact O-N 2.69Å; K69-V71 PolarHBondContact O-N 2.67Å; V71-N73 VanDerWaalsContact C-N 3.32Å; V71-N73 PolarHBondContact O-N 3.44Å; V71-L74 CarbonylContact O-C 3.54Å; V71-L74 WeakPolarHBondContact O-CB 3.5Å; V71-L74 PolarHBondContact O-N 3.02Å; V71-L74 VanDerWaalsContact O-N 3.13Å; V71-I75 HydrophobicContact CG1-CD1 3.96Å; V71-I75 HydrophobicContact CG1-CG1 4.3Å; V71-I75 WeakPolarHBondContact O-CB 3.16Å; V71-I75 VanDerWaalsContact O-CG1 3.24Å; V71-I75 WeakPolarHBondContact O-CG1 3.41Å; V71-I75 PolarHBondContact O-N 2.86Å |
| 72 | V | 56.2 | Low | 54.7 | Low | 75 Ų | 75 | 103 Ų | 103 | 46% | 0.455 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62 | -43.3 | 171.6 | 177.9 | 0 | 0 | 0 | 0 | 110.5 | P67 N68 K69 L74 I75 R76 | P67-V72 HydrophobicContact CB-CG2 4.48Å; P67-V72 HydrophobicContact CG-CG2 4.42Å; P67-V72 WeakPolarHBondContact O-CG2 3.38Å; N68-V72 PolarHBondContact O-N 3.13Å; K69-V72 PolarHBondContact O-N 3.48Å; V72-L74 VanDerWaalsContact C-N 3.3Å; V72-L74 PolarHBondContact O-N 3.31Å; V72-I75 PolarHBondContact O-N 3.44Å; V72-R76 VanDerWaalsContact O-CB 3.31Å; V72-R76 WeakPolarHBondContact O-CB 3.24Å; V72-R76 PolarHBondContact O-N 3.35Å |
| 73 | N | 60 | Low | 54.5 | Low | 83 Ų | 83 | 106 Ų | 106 | 44% | 0.444 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.3 | -34.2 | 173 | -74.8 | -22.9 | 0 | 0 | 0 | 111.9 | K69 P70 V71 R76 R77 | K69-N73 PolarHBondContact O-N 2.95Å; P70-N73 CarbonylContact O-C 3.5Å; P70-N73 PolarHBondContact O-N 3.35Å; V71-N73 VanDerWaalsContact C-N 3.32Å; V71-N73 PolarHBondContact O-N 3.44Å; N73-R76 PolarHBondContact O-N 3.03Å; N73-R77 VanDerWaalsContact O-CB 3.23Å; N73-R77 WeakPolarHBondContact O-CB 3.26Å; N73-R77 WeakPolarHBondContact O-CG 3.18Å; N73-R77 PolarHBondContact O-N 2.86Å |
| 74 | L | 68 | Low | 54.8 | Low | 115 Ų | 115 | 103.5 Ų | 103.5 | 60% | 0.602 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -68.9 | -41 | 175.5 | -139.1 | 112.4 | 0 | 0 | 0 | 111.6 | P70 V71 V72 R77 A78 | P70-L74 WeakPolarHBondContact O-CB 3.21Å; P70-L74 PolarHBondContact O-N 3.27Å; V71-L74 CarbonylContact O-C 3.54Å; V71-L74 WeakPolarHBondContact O-CB 3.5Å; V71-L74 PolarHBondContact O-N 3.02Å; V71-L74 VanDerWaalsContact O-N 3.13Å; V72-L74 VanDerWaalsContact C-N 3.3Å; V72-L74 PolarHBondContact O-N 3.31Å; L74-R77 CarbonylContact O-C 3.56Å; L74-R77 PolarHBondContact O-N 2.79Å; L74-A78 VanDerWaalsContact O-CB 3.24Å; L74-A78 WeakPolarHBondContact O-CB 3.4Å; L74-A78 PolarHBondContact O-N 3.41Å |
| 75 | I | 60.3 | Low | 55.3 | Low | 73 Ų | 73 | 104 Ų | 104 | 37% | 0.374 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -68.1 | -39.3 | 174 | -66.9 | 164.5 | 0 | 0 | 0 | 109.9 | P67 V71 V72 A78 K79 | P67-I75 HydrophobicContact CB-CD1 4.29Å; P67-I75 HydrophobicContact CG-CD1 4.45Å; V71-I75 HydrophobicContact CG1-CD1 3.96Å; V71-I75 HydrophobicContact CG1-CG1 4.3Å; V71-I75 WeakPolarHBondContact O-CB 3.16Å; V71-I75 VanDerWaalsContact O-CG1 3.24Å; V71-I75 WeakPolarHBondContact O-CG1 3.41Å; V71-I75 PolarHBondContact O-N 2.86Å; V72-I75 PolarHBondContact O-N 3.44Å; I75-A78 CarbonylContact O-C 3.54Å; I75-A78 PolarHBondContact O-N 3.38Å; I75-K79 WeakPolarHBondContact O-CB 3.42Å; I75-K79 WeakPolarHBondContact O-CG 3.2Å; I75-K79 PolarHBondContact O-N 2.94Å |
| 76 | R | 62 | Low | 55.5 | Low | 145 Ų | 145 | 104.9 Ų | 104.9 | 55% | 0.547 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.4 | -42.3 | 174.4 | -159.7 | -174.5 | 86.7 | 103.4 | 2.1 | 110.5 | V72 N73 A78 K79 Q80 | V72-R76 VanDerWaalsContact O-CB 3.31Å; V72-R76 WeakPolarHBondContact O-CB 3.24Å; V72-R76 PolarHBondContact O-N 3.35Å; N73-R76 PolarHBondContact O-N 3.03Å; R76-A78 VanDerWaalsContact C-N 3.34Å; R76-K79 PolarHBondContact O-N 3.49Å; R76-Q80 VanDerWaalsContact O-CB 3.29Å; R76-Q80 WeakPolarHBondContact O-CB 3.18Å; R76-Q80 VanDerWaalsContact O-CG 3.29Å; R76-Q80 WeakPolarHBondContact O-CG 3.25Å; R76-Q80 PolarHBondContact O-N 2.78Å |
| 77 | R | 63.9 | Low | 55.5 | Low | 164 Ų | 164 | 105.4 Ų | 105.4 | 62% | 0.619 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.4 | -35.9 | 171.3 | -76.7 | 173.2 | -179.3 | -177.6 | 0.7 | 111.9 | N73 L74 R81 | N73-R77 VanDerWaalsContact O-CB 3.23Å; N73-R77 WeakPolarHBondContact O-CB 3.26Å; N73-R77 WeakPolarHBondContact O-CG 3.18Å; N73-R77 PolarHBondContact O-N 2.86Å; L74-R77 CarbonylContact O-C 3.56Å; L74-R77 PolarHBondContact O-N 2.79Å; R77-R81 WeakPolarHBondContact O-CB 3.43Å; R77-R81 VanDerWaalsContact O-CG 3.26Å; R77-R81 WeakPolarHBondContact O-CG 3.17Å; R77-R81 PolarHBondContact O-N 3.29Å |
| 78 | A | 66.1 | Low | 55.4 | Low | 54 Ų | 54 | 106.5 Ų | 106.5 | 45% | 0.446 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -72.8 | -35.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L74 I75 R76 R81 A82 | L74-A78 VanDerWaalsContact O-CB 3.24Å; L74-A78 WeakPolarHBondContact O-CB 3.4Å; L74-A78 PolarHBondContact O-N 3.41Å; I75-A78 CarbonylContact O-C 3.54Å; I75-A78 PolarHBondContact O-N 3.38Å; R76-A78 VanDerWaalsContact C-N 3.34Å; A78-R81 CarbonylContact O-C 3.53Å; A78-A82 VanDerWaalsContact O-CB 3.24Å; A78-A82 WeakPolarHBondContact O-CB 3.13Å; A78-A82 PolarHBondContact O-N 2.8Å |
| 79 | K | 60.4 | Low | 55.2 | Low | 152 Ų | 152 | 105.9 Ų | 105.9 | 66% | 0.661 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -72.2 | -38.5 | 171.8 | -79.4 | -173.6 | 176 | -174.2 | 0 | 112.1 | I75 R76 A82 K83 | I75-K79 WeakPolarHBondContact O-CB 3.42Å; I75-K79 WeakPolarHBondContact O-CG 3.2Å; I75-K79 PolarHBondContact O-N 2.94Å; R76-K79 PolarHBondContact O-N 3.49Å; K79-A82 PolarHBondContact O-N 2.63Å; K79-K83 VanDerWaalsContact O-CB 3.27Å; K79-K83 WeakPolarHBondContact O-CB 3.29Å; K79-K83 PolarHBondContact O-N 3.21Å |
| 80 | Q | 57.9 | Low | 54.9 | Low | 76 Ų | 76 | 101.2 Ų | 101.2 | 36% | 0.355 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.2 | -44 | 170.5 | -77.9 | 179.6 | -49.7 | 0 | 0 | 109.8 | R76 A82 K83 E84 | R76-Q80 VanDerWaalsContact O-CB 3.29Å; R76-Q80 WeakPolarHBondContact O-CB 3.18Å; R76-Q80 VanDerWaalsContact O-CG 3.29Å; R76-Q80 WeakPolarHBondContact O-CG 3.25Å; R76-Q80 PolarHBondContact O-N 2.78Å; Q80-A82 PolarHBondContact O-N 2.52Å; Q80-K83 CarbonylContact O-C 3.59Å; Q80-K83 PolarHBondContact O-N 3.45Å; Q80-E84 VanDerWaalsContact O-CB 3.24Å; Q80-E84 WeakPolarHBondContact O-CB 3.37Å; Q80-E84 VanDerWaalsContact O-CG 3.25Å; Q80-E84 WeakPolarHBondContact O-CG 3.27Å; Q80-E84 PolarHBondContact O-N 2.7Å |
| 81 | R | 55.6 | Low | 54.4 | Low | 174 Ų | 174 | 102.4 Ų | 102.4 | 66% | 0.657 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.9 | -36.8 | 170.5 | -80.9 | -179.5 | 178.9 | -174.1 | -1.3 | 113 | R77 A78 E84 I85 | R77-R81 WeakPolarHBondContact O-CB 3.43Å; R77-R81 VanDerWaalsContact O-CG 3.26Å; R77-R81 WeakPolarHBondContact O-CG 3.17Å; R77-R81 PolarHBondContact O-N 3.29Å; A78-R81 CarbonylContact O-C 3.53Å; R81-E84 CarbonylContact O-C 3.59Å; R81-I85 WeakPolarHBondContact O-CA 3.43Å; R81-I85 WeakPolarHBondContact O-CB 3.33Å; R81-I85 VanDerWaalsContact O-CD1 3.26Å; R81-I85 WeakPolarHBondContact O-CD1 3.3Å; R81-I85 WeakPolarHBondContact O-CG1 3.37Å; R81-I85 PolarHBondContact O-N 2.65Å |
| 82 | A | 55.2 | Low | 53.5 | Low | 46 Ų | 46 | 101.7 Ų | 101.7 | 38% | 0.38 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -72.8 | -34.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | A78 K79 Q80 I85 N86 | A78-A82 VanDerWaalsContact O-CB 3.24Å; A78-A82 WeakPolarHBondContact O-CB 3.13Å; A78-A82 PolarHBondContact O-N 2.8Å; K79-A82 PolarHBondContact O-N 2.63Å; Q80-A82 PolarHBondContact O-N 2.52Å; A82-I85 PolarHBondContact O-N 2.74Å; A82-N86 WeakPolarHBondContact O-CB 3.24Å; A82-N86 PolarHBondContact O-N 2.61Å |
| 83 | K | 48.9 | Very low | 53 | Low | 128 Ų | 128 | 100.6 Ų | 100.6 | 56% | 0.557 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -68.5 | -45.7 | 171.4 | -176 | 178.8 | 169.4 | -176.9 | 0 | 110.6 | K79 Q80 I85 N86 E87 | K79-K83 VanDerWaalsContact O-CB 3.27Å; K79-K83 WeakPolarHBondContact O-CB 3.29Å; K79-K83 PolarHBondContact O-N 3.21Å; Q80-K83 CarbonylContact O-C 3.59Å; Q80-K83 PolarHBondContact O-N 3.45Å; K83-I85 VanDerWaalsContact C-N 3.3Å; K83-I85 PolarHBondContact O-N 2.69Å; K83-N86 CarbonylContact O-C 3.55Å; K83-N86 PolarHBondContact O-N 2.71Å; K83-E87 WeakPolarHBondContact CE-OE1 3.38Å; K83-E87 IonicContact NZ-OE1 3.97Å; K83-E87 WeakPolarHBondContact O-CB 2.96Å; K83-E87 WeakPolarHBondContact O-CG 3Å; K83-E87 PolarHBondContact O-N 2.89Å |
| 84 | E | 50.8 | Low | 52.4 | Low | 105 Ų | 105 | 104.1 Ų | 104.1 | 49% | 0.491 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.9 | -34.7 | 170.9 | -75.8 | 165.6 | -166.8 | 0 | 0 | 110.5 | Q80 R81 T88 | Q80-E84 VanDerWaalsContact O-CB 3.24Å; Q80-E84 WeakPolarHBondContact O-CB 3.37Å; Q80-E84 VanDerWaalsContact O-CG 3.25Å; Q80-E84 WeakPolarHBondContact O-CG 3.27Å; Q80-E84 PolarHBondContact O-N 2.7Å; R81-E84 CarbonylContact O-C 3.59Å; E84-T88 VanDerWaalsContact O-CA 3.29Å; E84-T88 WeakPolarHBondContact O-CA 3.19Å; E84-T88 WeakPolarHBondContact O-CB 3.46Å; E84-T88 PolarHBondContact O-N 3.47Å; E84-T88 PolarHBondContact O-OG1 3.42Å |
| 85 | I | 52.2 | Low | 51.8 | Low | 108 Ų | 108 | 101.5 Ų | 101.5 | 55% | 0.554 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -71.5 | -36.4 | 175.3 | -74.7 | 158.8 | 0 | 0 | 0 | 109.7 | R81 A82 K83 F89 | R81-I85 WeakPolarHBondContact O-CA 3.43Å; R81-I85 WeakPolarHBondContact O-CB 3.33Å; R81-I85 VanDerWaalsContact O-CD1 3.26Å; R81-I85 WeakPolarHBondContact O-CD1 3.3Å; R81-I85 WeakPolarHBondContact O-CG1 3.37Å; R81-I85 PolarHBondContact O-N 2.65Å; A82-I85 PolarHBondContact O-N 2.74Å; K83-I85 VanDerWaalsContact C-N 3.3Å; K83-I85 PolarHBondContact O-N 2.69Å; I85-F89 WeakPolarHBondContact O-CA 3.46Å; I85-F89 WeakPolarHBondContact O-CB 2.94Å; I85-F89 PolarHBondContact O-N 3.49Å |
| 86 | N | 43.7 | Very low | 52 | Low | 107 Ų | 107 | 100.6 Ų | 100.6 | 57% | 0.572 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -73.4 | -38.8 | 174.7 | -77.6 | -14.4 | 0 | 0 | 0 | 112.2 | A82 K83 F89 T90 | A82-N86 WeakPolarHBondContact O-CB 3.24Å; A82-N86 PolarHBondContact O-N 2.61Å; K83-N86 CarbonylContact O-C 3.55Å; K83-N86 PolarHBondContact O-N 2.71Å; N86-F89 PolarHBondContact O-N 2.72Å; N86-T90 WeakPolarHBondContact O-CB 2.87Å; N86-T90 WeakPolarHBondContact O-CG2 3.37Å; N86-T90 PolarHBondContact O-N 2.88Å; N86-T90 PolarHBondContact O-OG1 3.46Å |
| 87 | E | 45.9 | Very low | 52.6 | Low | 102 Ų | 102 | 96.8 Ų | 96.8 | 48% | 0.477 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67 | -49.9 | 172.4 | -76.4 | 174.1 | 173.2 | 0 | 0 | 109.8 | K83 F89 T90 D91 | K83-E87 WeakPolarHBondContact CE-OE1 3.38Å; K83-E87 IonicContact NZ-OE1 3.97Å; K83-E87 WeakPolarHBondContact O-CB 2.96Å; K83-E87 WeakPolarHBondContact O-CG 3Å; K83-E87 PolarHBondContact O-N 2.89Å; E87-F89 VanDerWaalsContact C-N 3.31Å; E87-F89 PolarHBondContact O-N 2.7Å; E87-T90 WeakPolarHBondContact CA-OG1 3.35Å; E87-T90 CarbonylContact O-C 3.58Å; E87-T90 PolarHBondContact O-N 3.2Å; E87-T90 PolarHBondContact O-OG1 2.65Å; E87-D91 WeakPolarHBondContact O-CA 2.83Å; E87-D91 WeakPolarHBondContact O-CB 3.3Å; E87-D91 PolarHBondContact O-N 2.88Å |
| 88 | T | 43.1 | Very low | 53.3 | Low | 82 Ų | 82 | 95.1 Ų | 95.1 | 50% | 0.503 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.2 | -33.8 | 172.8 | -49.5 | 0 | 0 | 0 | 0 | 111 | E84 D91 F92 | E84-T88 VanDerWaalsContact O-CA 3.29Å; E84-T88 WeakPolarHBondContact O-CA 3.19Å; E84-T88 WeakPolarHBondContact O-CB 3.46Å; E84-T88 PolarHBondContact O-N 3.47Å; E84-T88 PolarHBondContact O-OG1 3.42Å; T88-D91 CarbonylContact O-C 3.51Å; T88-F92 VanDerWaalsContact O-CA 3.3Å; T88-F92 WeakPolarHBondContact O-CA 3.06Å; T88-F92 WeakPolarHBondContact O-CB 3.49Å; T88-F92 PolarHBondContact O-N 3.35Å |
| 89 | F | 44.9 | Very low | 54.1 | Low | 106 Ų | 106 | 97.3 Ų | 97.3 | 47% | 0.465 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -72.6 | -39.4 | 176 | -176.9 | -103.8 | 0 | 0 | 0 | 110.9 | I85 N86 E87 L93 | I85-F89 WeakPolarHBondContact O-CA 3.46Å; I85-F89 WeakPolarHBondContact O-CB 2.94Å; I85-F89 PolarHBondContact O-N 3.49Å; N86-F89 PolarHBondContact O-N 2.72Å; E87-F89 VanDerWaalsContact C-N 3.31Å; E87-F89 PolarHBondContact O-N 2.7Å; F89-L93 HydrophobicContact CD1-CD1 3.85Å; F89-L93 HydrophobicContact CE1-CD1 3.64Å; F89-L93 HydrophobicContact CE1-CG 4.37Å; F89-L93 HydrophobicContact CZ-CD1 4.2Å; F89-L93 VanDerWaalsContact O-CB 3.27Å; F89-L93 WeakPolarHBondContact O-CB 3.1Å; F89-L93 WeakPolarHBondContact O-CD1 3.47Å; F89-L93 WeakPolarHBondContact O-CG 3.27Å; F89-L93 PolarHBondContact O-N 2.9Å |
| 90 | T | 44.8 | Very low | 55.3 | Low | 81 Ų | 81 | 94.4 Ų | 94.4 | 50% | 0.497 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -71.9 | -28.9 | 173.5 | 49.3 | 0 | 0 | 0 | 0 | 113.1 | N86 E87 | N86-T90 WeakPolarHBondContact O-CB 2.87Å; N86-T90 WeakPolarHBondContact O-CG2 3.37Å; N86-T90 PolarHBondContact O-N 2.88Å; N86-T90 PolarHBondContact O-OG1 3.46Å; E87-T90 WeakPolarHBondContact CA-OG1 3.35Å; E87-T90 CarbonylContact O-C 3.58Å; E87-T90 PolarHBondContact O-N 3.2Å; E87-T90 PolarHBondContact O-OG1 2.65Å |
| 91 | D | 43.2 | Very low | 56.8 | Low | 110 Ų | 110 | 92.9 Ų | 92.9 | 59% | 0.588 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -84 | -29 | 175.5 | -158 | 37.4 | 0 | 0 | 0 | 111.7 | E87 T88 K94 T95 | E87-D91 WeakPolarHBondContact O-CA 2.83Å; E87-D91 WeakPolarHBondContact O-CB 3.3Å; E87-D91 PolarHBondContact O-N 2.88Å; T88-D91 CarbonylContact O-C 3.51Å; D91-K94 CarbonylContact O-C 3.6Å; D91-K94 PolarHBondContact O-N 2.8Å; D91-T95 PolarHBondContact O-N 3.2Å; D91-T95 PolarHBondContact O-OG1 3.41Å |
| 92 | F | 40.8 | Very low | 58.5 | Low | 50 Ų | 50 | 85.4 Ų | 85.4 | 22% | 0.219 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -74.3 | -39 | 172.1 | -175 | -85.1 | 0 | 0 | 0 | 111 | T88 K94 T95 R125 | T88-F92 VanDerWaalsContact O-CA 3.3Å; T88-F92 WeakPolarHBondContact O-CA 3.06Å; T88-F92 WeakPolarHBondContact O-CB 3.49Å; T88-F92 PolarHBondContact O-N 3.35Å; F92-K94 PolarHBondContact O-N 3.15Å; F92-K94 VanDerWaalsContact O-N 3.15Å; F92-T95 WeakPolarHBondContact CA-OG1 3.21Å; F92-T95 PolarHBondContact O-N 3.32Å; F92-R125 HydrophobicContact CE1-CG 4.11Å; F92-R125 HydrophobicContact CZ-CG 4.08Å |
| 93 | L | 44.4 | Very low | 60.2 | Low | 52 Ų | 52 | 89.2 Ų | 89.2 | 27% | 0.272 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -17.9 | 168.1 | -77.1 | 171.3 | 0 | 0 | 0 | 112.6 | F89 P127 | F89-L93 HydrophobicContact CD1-CD1 3.85Å; F89-L93 HydrophobicContact CE1-CD1 3.64Å; F89-L93 HydrophobicContact CE1-CG 4.37Å; F89-L93 HydrophobicContact CZ-CD1 4.2Å; F89-L93 VanDerWaalsContact O-CB 3.27Å; F89-L93 WeakPolarHBondContact O-CB 3.1Å; F89-L93 WeakPolarHBondContact O-CD1 3.47Å; F89-L93 WeakPolarHBondContact O-CG 3.27Å; F89-L93 PolarHBondContact O-N 2.9Å; L93-P127 HydrophobicContact CD2-CG 3.43Å; L93-P127 VanDerWaalsContact CD2-CG 3.43Å |
| 94 | K | 49.3 | Very low | 62.2 | Low | 156 Ų | 156 | 87.8 Ų | 87.8 | 68% | 0.678 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.4 | 17.7 | -179.1 | -70.1 | -173.3 | 178.5 | -175.9 | 0 | 113.6 | D91 F92 V96 | D91-K94 CarbonylContact O-C 3.6Å; D91-K94 PolarHBondContact O-N 2.8Å; F92-K94 PolarHBondContact O-N 3.15Å; F92-K94 VanDerWaalsContact O-N 3.15Å; K94-V96 WeakPolarHBondContact O-CG2 3.4Å; K94-V96 PolarHBondContact O-N 2.99Å |
| 95 | T | 53.8 | Low | 64 | Low | 61 Ų | 61 | 84.9 Ų | 84.9 | 37% | 0.374 | 44% | 0.44 | S | S | . | . | trans | -73.4 | 90 | 174.6 | -52.5 | 0 | 0 | 0 | 0 | 106.8 | D91 F92 R125 | D91-T95 PolarHBondContact O-N 3.2Å; D91-T95 PolarHBondContact O-OG1 3.41Å; F92-T95 WeakPolarHBondContact CA-OG1 3.21Å; F92-T95 PolarHBondContact O-N 3.32Å; T95-R125 PolarHBondContact O-N 2.79Å | ||
| 96 | V | 64.9 | Low | 65.8 | Low | 54 Ų | 54 | 84.3 Ų | 84.3 | 33% | 0.327 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 95.6 | 179.3 | 176.1 | 0 | 0 | 0 | 0 | 105.8 | K94 K98 V122 W123 I139 | K94-V96 WeakPolarHBondContact O-CG2 3.4Å; K94-V96 PolarHBondContact O-N 2.99Å; V96-K98 PolarHBondContact O-N 3.34Å; V96-V122 HydrophobicContact CG1-CB 3.33Å; V96-V122 HydrophobicContact CG1-CG1 3.63Å; V96-V122 HydrophobicContact CG1-CG2 3.34Å; V96-W123 CarbonylContact C-O 3.6Å; V96-W123 VanDerWaalsContact CA-O 3.28Å; V96-W123 WeakPolarHBondContact CA-O 3.25Å; V96-I139 HydrophobicContact CG1-CD1 4.12Å |
| 97 | S | 74.6 | Confident | 67.8 | Low | 64 Ų | 64 | 81.7 Ų | 81.7 | 45% | 0.448 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 114.7 | 177 | -64.9 | 0 | 0 | 0 | 0 | 108.9 | L99 V122 W123 | S97-L99 PolarHBondContact O-N 3.1Å; S97-V122 CarbonylContact O-C 3.47Å; S97-V122 WeakPolarHBondContact O-CA 3.41Å; S97-W123 PolarHBondContact N-O 2.05Å; S97-W123 PolarHBondContact O-N 3.01Å |
| 98 | K | 79.5 | Confident | 69.6 | Low | 129 Ų | 129 | 79.9 Ų | 79.9 | 56% | 0.561 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 125.7 | 173.9 | -64.1 | -173.6 | 178.4 | -174.3 | 0 | 110.5 | V96 V122 | V96-K98 PolarHBondContact O-N 3.34Å; K98-V122 HydrophobicContact CB-CG1 4.4Å; K98-V122 HydrophobicContact CG-CG1 3.91Å |
| 99 | L | 82.1 | Confident | 71.4 | Confident | 101 Ų | 101 | 82.3 Ų | 82.3 | 53% | 0.529 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | -58 | 177.6 | -65.5 | 175.3 | 0 | 0 | 0 | 110.8 | S97 W121 W123 | S97-L99 PolarHBondContact O-N 3.1Å; L99-W121 HydrophobicContact CB-CB 4.19Å; L99-W121 WeakPolarHBondContact CB-O 3.07Å; L99-W121 HydrophobicContact CD1-CB 4.44Å; L99-W121 PolarHBondContact N-O 2.84Å; L99-W123 VanDerWaalsContact CD1-CD1 3.44Å; L99-W123 HydrophobicContact CD1-CG 4.29Å |
| 100 | D | 86.4 | Confident | 73.1 | Confident | 90 Ų | 90 | 80.9 Ų | 80.9 | 48% | 0.481 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 148.9 | -175 | -176.1 | 35.4 | 0 | 0 | 0 | 109.5 | C120 W121 | D100-C120 CarbonylContact O-C 3.5Å; D100-C120 VanDerWaalsContact O-CA 3.3Å; D100-C120 WeakPolarHBondContact O-CA 3.3Å; D100-W121 PolarHBondContact O-N 2.78Å |
| 101 | C | 89.9 | Confident | 75.1 | Confident | 45 Ų | 45 | 79.9 Ų | 79.9 | 30% | 0.304 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 128.6 | -177.7 | -65.5 | 0 | 0 | 0 | 0 | 110.9 | V119 C120 | C101-V119 CarbonylContact C-O 3.56Å; C101-V119 VanDerWaalsContact CA-O 3.25Å; C101-V119 WeakPolarHBondContact CA-O 3.45Å; C101-C120 HydrophobicContact CB-CB 4.14Å; C101-C120 WeakPolarHBondContact CB-SG 3.09Å; C101-C120 WeakPolarHBondContact SG-CB 3.23Å; C101-C120 CovalentContact SG-SG 2.05Å; C101-C120 PolarHBondContact SG-SG 2.86Å |
| 102 | I | 90.1 | Very high | 77.3 | Confident | 17 Ų | 17 | 83.9 Ų | 83.9 | 9% | 0.087 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 124.1 | 174.1 | -56.2 | 168.9 | 0 | 0 | 0 | 107.6 | Q106 I108 N118 V119 | I102-Q106 HydrophobicContact CG2-CB 4.01Å; I102-I108 HydrophobicContact CD1-CG2 4.5Å; I102-N118 WeakPolarHBondContact O-CA 3.3Å; I102-V119 HydrophobicContact CB-CG2 3.89Å; I102-V119 HydrophobicContact CD1-CG2 4.43Å; I102-V119 HydrophobicContact CG1-CG2 4.5Å; I102-V119 PolarHBondContact N-O 3.06Å; I102-V119 PolarHBondContact O-N 2.86Å |
| 103 | R | 91.5 | Very high | 79.7 | Confident | 125 Ų | 125 | 91.1 Ų | 91.1 | 47% | 0.472 | 48% | 0.478 | S | S | . | . | P | Polyproline II helix | trans | -82.9 | 152.7 | 174.3 | -62.5 | -68 | -172.9 | 174.6 | -5.7 | 110.7 | G105 Q106 N118 D141 | R103-G105 PolarHBondContact O-N 2.96Å; R103-Q106 HydrophobicContact CB-CG 3.98Å; R103-Q106 VanDerWaalsContact O-CB 3.27Å; R103-Q106 WeakPolarHBondContact O-CB 3.21Å; R103-Q106 PolarHBondContact O-N 3.41Å; R103-N118 WeakPolarHBondContact CA-OD1 3.46Å; R103-N118 PolarHBondContact NH1-ND2 3.26Å; R103-N118 VanDerWaalsContact NH1-ND2 3.14Å; R103-D141 IonicContact CZ-OD2 3.9Å; R103-D141 IonicContact NH1-OD2 2.78Å; R103-D141 PolarHBondContact NH1-OD2 3.12Å |
| 104 | R | 89.8 | Confident | 81.9 | Confident | 98 Ų | 98 | 93.7 Ų | 93.7 | 37% | 0.37 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | 131.7 | 169.3 | -179 | -179.5 | 75 | -131.3 | -8.2 | 109.9 | Q106 G115 L116 N118 D143 K145 | R104-Q106 VanDerWaalsContact C-N 3.28Å; R104-G115 CarbonylContact C-O 3.57Å; R104-G115 VanDerWaalsContact CA-O 3.31Å; R104-G115 WeakPolarHBondContact CA-O 3.28Å; R104-L116 VanDerWaalsContact CD-O 3.32Å; R104-L116 WeakPolarHBondContact CD-O 3.43Å; R104-L116 WeakPolarHBondContact CG-O 3.5Å; R104-N118 WeakPolarHBondContact CB-OD1 3.49Å; R104-N118 PolarHBondContact N-OD1 3.47Å; R104-D143 IonicContact CZ-OD2 3.71Å; R104-D143 IonicContact NH1-OD1 3.89Å; R104-D143 IonicContact NH1-OD2 2.91Å; R104-D143 PolarHBondContact NH1-OD2 2.91Å; R104-D143 IonicContact NH2-OD2 3.84Å; R104-K145 PolarHBondContact NH1-O 3.25Å |
| 105 | G | 89 | Confident | 83.8 | Confident | 45 Ų | 45 | 86.8 Ų | 86.8 | 46% | 0.464 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.4 | -0.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | R103 L114 G115 | R103-G105 PolarHBondContact O-N 2.96Å; G105-L114 WeakPolarHBondContact O-CD2 3.5Å; G105-G115 PolarHBondContact N-O 2.73Å |
| 106 | Q | 89.5 | Confident | 85.7 | Confident | 96 Ų | 96 | 88.2 Ų | 88.2 | 45% | 0.449 | 47% | 0.469 | S | S | . | . | S | Bend | trans | -85.2 | 151.7 | 167 | -66.6 | -178.5 | -29.1 | 0 | 0 | 110.6 | I102 R103 R104 L114 G115 | I102-Q106 HydrophobicContact CG2-CB 4.01Å; R103-Q106 HydrophobicContact CB-CG 3.98Å; R103-Q106 VanDerWaalsContact O-CB 3.27Å; R103-Q106 WeakPolarHBondContact O-CB 3.21Å; R103-Q106 PolarHBondContact O-N 3.41Å; R104-Q106 VanDerWaalsContact C-N 3.28Å; Q106-L114 WeakPolarHBondContact O-CA 3.01Å; Q106-G115 PolarHBondContact O-N 2.84Å |
| 107 | S | 87.2 | Confident | 87.1 | Confident | 51 Ų | 51 | 86 Ų | 86 | 36% | 0.357 | 46% | 0.456 | S | S | . | . | B | Isolated β-bridge | trans | -60.7 | 135.5 | 171.5 | 162 | 0 | 0 | 0 | 0 | 110.6 | G110 T111 W113 | S107-G110 WeakPolarHBondContact OG-CA 3.05Å; S107-G110 PolarHBondContact OG-N 2.99Å; S107-T111 VanDerWaalsContact CB-O 3.28Å; S107-T111 WeakPolarHBondContact CB-O 3Å; S107-T111 PolarHBondContact OG-N 3.42Å; S107-T111 PolarHBondContact OG-O 2.74Å; S107-W113 WeakPolarHBondContact CA-O 3.46Å |
| 108 | I | 83.5 | Confident | 87.9 | Confident | 64 Ų | 64 | 83.5 Ų | 83.5 | 33% | 0.328 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -84.7 | 120.7 | 171.9 | -57.6 | 172.8 | 0 | 0 | 0 | 108.2 | I102 G110 T111 W113 | I102-I108 HydrophobicContact CD1-CG2 4.5Å; I108-G110 PolarHBondContact O-N 2.89Å; I108-T111 WeakPolarHBondContact O-CB 2.91Å; I108-T111 WeakPolarHBondContact O-CG2 3.12Å; I108-T111 PolarHBondContact O-N 2.86Å; I108-T111 PolarHBondContact O-OG1 2.8Å; I108-W113 PolarHBondContact N-O 3.49Å |
| 109 | D | 80.6 | Confident | 88.6 | Confident | 133 Ų | 133 | 78.5 Ų | 78.5 | 71% | 0.711 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50 | 34.5 | 171.2 | -58.2 | -33.5 | 0 | 0 | 0 | 114.8 | T111 | D109-T111 VanDerWaalsContact C-N 3.28Å; D109-T111 PolarHBondContact O-N 2.75Å |
| 110 | G | 80.3 | Confident | 89 | Confident | 76 Ų | 76 | 74 Ų | 74 | 78% | 0.784 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.2 | 9.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | S107 I108 | S107-G110 WeakPolarHBondContact OG-CA 3.05Å; S107-G110 PolarHBondContact OG-N 2.99Å; I108-G110 PolarHBondContact O-N 2.89Å |
| 111 | T | 87.2 | Confident | 89.2 | Confident | 61 Ų | 61 | 74.7 Ų | 74.7 | 37% | 0.374 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -84.2 | 163.4 | 174.4 | 70.9 | 0 | 0 | 0 | 0 | 111.9 | S107 I108 D109 W113 | S107-T111 VanDerWaalsContact CB-O 3.28Å; S107-T111 WeakPolarHBondContact CB-O 3Å; S107-T111 PolarHBondContact OG-N 3.42Å; S107-T111 PolarHBondContact OG-O 2.74Å; I108-T111 WeakPolarHBondContact O-CB 2.91Å; I108-T111 WeakPolarHBondContact O-CG2 3.12Å; I108-T111 PolarHBondContact O-N 2.86Å; I108-T111 PolarHBondContact O-OG1 2.8Å; D109-T111 VanDerWaalsContact C-N 3.28Å; D109-T111 PolarHBondContact O-N 2.75Å; T111-W113 PolarHBondContact O-N 3.44Å; T111-W113 PolarHBondContact OG1-N 2.9Å |
| 112 | E | 88.7 | Confident | 89.1 | Confident | 194 Ų | 194 | 72.5 Ų | 72.5 | 91% | 0.907 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -72 | -3.3 | 174 | -62 | -174.9 | 161.3 | 0 | 0 | 113.3 | ||
| 113 | W | 92 | Very high | 88.8 | Confident | 201 Ų | 201 | 76 Ų | 76 | 76% | 0.761 | 39% | 0.388 | S | S | * | . | P | Polyproline II helix | trans | -82.7 | 131.3 | -179.6 | -61.5 | 99.4 | 0 | 0 | 0 | 111.3 | S107 I108 T111 | S107-W113 WeakPolarHBondContact CA-O 3.46Å; I108-W113 PolarHBondContact N-O 3.49Å; T111-W113 PolarHBondContact O-N 3.44Å; T111-W113 PolarHBondContact OG1-N 2.9Å |
| 114 | L | 90 | Very high | 88.6 | Confident | 107 Ų | 107 | 73 Ų | 73 | 56% | 0.56 | 38% | 0.377 | S | S | * | . | B | Isolated β-bridge | trans | -95.7 | 136.7 | 179.8 | -54.6 | -177.1 | 0 | 0 | 0 | 111.3 | G105 Q106 L116 | G105-L114 WeakPolarHBondContact O-CD2 3.5Å; Q106-L114 WeakPolarHBondContact O-CA 3.01Å; L114-L116 PolarHBondContact O-N 2.98Å |
| 115 | G | 89.9 | Confident | 88.3 | Confident | 10 Ų | 10 | 72.2 Ų | 72.2 | 10% | 0.103 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 130.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | R104 G105 Q106 | R104-G115 CarbonylContact C-O 3.57Å; R104-G115 VanDerWaalsContact CA-O 3.31Å; R104-G115 WeakPolarHBondContact CA-O 3.28Å; G105-G115 PolarHBondContact N-O 2.73Å; Q106-G115 PolarHBondContact O-N 2.84Å |
| 116 | L | 92.6 | Very high | 88.1 | Confident | 91 Ų | 91 | 70.3 Ų | 70.3 | 48% | 0.476 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -81 | -18.9 | 175.1 | -65.4 | -179.6 | 0 | 0 | 0 | 113.1 | R104 L114 C146 L147 C180 | R104-L116 VanDerWaalsContact CD-O 3.32Å; R104-L116 WeakPolarHBondContact CD-O 3.43Å; R104-L116 WeakPolarHBondContact CG-O 3.5Å; L114-L116 PolarHBondContact O-N 2.98Å; L116-C146 HydrophobicContact CB-CB 4.47Å; L116-C146 WeakPolarHBondContact O-CB 3.39Å; L116-L147 HydrophobicContact CD1-CD2 4.49Å; L116-L147 HydrophobicContact CD2-CD2 3.86Å; L116-C180 HydrophobicContact CB-CB 4.04Å; L116-C180 HydrophobicContact CD1-CB 4.21Å |
| 117 | C | 94.1 | Very high | 87.9 | Confident | 7 Ų | 7 | 66.4 Ų | 66.4 | 5% | 0.047 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -129.2 | 155.6 | -177.2 | -69 | 0 | 0 | 0 | 0 | 110.8 | V119 C153 C178 | C117-V119 HydrophobicContact CB-CG1 4.48Å; C117-C153 WeakPolarHBondContact CA-SG 3Å; C117-C153 HydrophobicContact CB-CB 3.83Å; C117-C153 WeakPolarHBondContact CB-SG 3.32Å; C117-C153 WeakPolarHBondContact SG-CB 3.31Å; C117-C153 CovalentContact SG-SG 2.03Å; C117-C153 PolarHBondContact SG-SG 2.68Å; C117-C178 HydrophobicContact CB-CB 4.15Å |
| 118 | N | 92.8 | Very high | 87.9 | Confident | 12 Ų | 12 | 69 Ų | 69 | 6% | 0.064 | 35% | 0.354 | C | S | . | . | trans | -75.8 | 124.7 | 165.5 | -68.1 | -9.1 | 0 | 0 | 0 | 108.9 | I102 R103 R104 D141 | I102-N118 WeakPolarHBondContact O-CA 3.3Å; R103-N118 WeakPolarHBondContact CA-OD1 3.46Å; R103-N118 PolarHBondContact NH1-ND2 3.26Å; R103-N118 VanDerWaalsContact NH1-ND2 3.14Å; R104-N118 WeakPolarHBondContact CB-OD1 3.49Å; R104-N118 PolarHBondContact N-OD1 3.47Å; N118-D141 HydrophobicContact CB-CB 3.38Å; N118-D141 PolarHBondContact ND2-OD2 2.83Å; N118-D141 VanDerWaalsContact ND2-OD2 3.14Å; N118-D141 PolarHBondContact O-N 2.95Å | ||
| 119 | V | 92.8 | Very high | 88 | Confident | 24 Ų | 24 | 68.1 Ų | 68.1 | 15% | 0.145 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 146.2 | 178.6 | -61.7 | 0 | 0 | 0 | 0 | 110.4 | C101 I102 C117 L138 I139 C178 | C101-V119 CarbonylContact C-O 3.56Å; C101-V119 VanDerWaalsContact CA-O 3.25Å; C101-V119 WeakPolarHBondContact CA-O 3.45Å; I102-V119 HydrophobicContact CB-CG2 3.89Å; I102-V119 HydrophobicContact CD1-CG2 4.43Å; I102-V119 HydrophobicContact CG1-CG2 4.5Å; I102-V119 PolarHBondContact N-O 3.06Å; I102-V119 PolarHBondContact O-N 2.86Å; C117-V119 HydrophobicContact CB-CG1 4.48Å; V119-L138 HydrophobicContact CB-CD1 4.23Å; V119-L138 HydrophobicContact CB-CD2 4.03Å; V119-L138 HydrophobicContact CB-CG 4.12Å; V119-L138 HydrophobicContact CG1-CD2 4.14Å; V119-L138 HydrophobicContact CG2-CD1 4.46Å; V119-L138 HydrophobicContact CG2-CD2 4.47Å; V119-I139 WeakPolarHBondContact CA-O 3.49Å; V119-C178 HydrophobicContact CG1-CB 3.64Å |
| 120 | C | 91 | Very high | 88.3 | Confident | 6 Ų | 6 | 64.1 Ų | 64.1 | 4% | 0.041 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 129.3 | 174.1 | -69.3 | 0 | 0 | 0 | 0 | 110.5 | D100 C101 V122 L138 I139 | D100-C120 CarbonylContact O-C 3.5Å; D100-C120 VanDerWaalsContact O-CA 3.3Å; D100-C120 WeakPolarHBondContact O-CA 3.3Å; C101-C120 HydrophobicContact CB-CB 4.14Å; C101-C120 WeakPolarHBondContact CB-SG 3.09Å; C101-C120 WeakPolarHBondContact SG-CB 3.23Å; C101-C120 CovalentContact SG-SG 2.05Å; C101-C120 PolarHBondContact SG-SG 2.86Å; C120-V122 HydrophobicContact CB-CG1 4.1Å; C120-L138 WeakPolarHBondContact O-CA 3.31Å; C120-I139 HydrophobicContact CB-CG1 4.03Å; C120-I139 PolarHBondContact N-O 2.85Å; C120-I139 PolarHBondContact O-N 3.07Å |
| 121 | W | 89.9 | Confident | 88.6 | Confident | 105 Ų | 105 | 67.3 Ų | 67.3 | 40% | 0.398 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 127.7 | 164.8 | -72.2 | 109.8 | 0 | 0 | 0 | 109.5 | L99 D100 L138 | L99-W121 HydrophobicContact CB-CB 4.19Å; L99-W121 WeakPolarHBondContact CB-O 3.07Å; L99-W121 HydrophobicContact CD1-CB 4.44Å; L99-W121 PolarHBondContact N-O 2.84Å; D100-W121 PolarHBondContact O-N 2.78Å; W121-L138 HydrophobicContact CD2-CD1 3.34Å; W121-L138 VanDerWaalsContact CE2-CD1 3.45Å; W121-L138 HydrophobicContact CE3-CB 4.31Å; W121-L138 HydrophobicContact CE3-CD1 3.65Å; W121-L138 HydrophobicContact CG-CD1 3.76Å; W121-L138 HydrophobicContact CH2-CD1 4.12Å; W121-L138 HydrophobicContact CZ2-CD1 3.85Å; W121-L138 HydrophobicContact CZ3-CB 4.21Å; W121-L138 HydrophobicContact CZ3-CD1 4.02Å |
| 122 | V | 88.1 | Confident | 88.7 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 149.3 | -177 | -52.7 | 0 | 0 | 0 | 0 | 111.7 | V96 S97 K98 C120 E137 I139 | V96-V122 HydrophobicContact CG1-CB 3.33Å; V96-V122 HydrophobicContact CG1-CG1 3.63Å; V96-V122 HydrophobicContact CG1-CG2 3.34Å; S97-V122 CarbonylContact O-C 3.47Å; S97-V122 WeakPolarHBondContact O-CA 3.41Å; K98-V122 HydrophobicContact CB-CG1 4.4Å; K98-V122 HydrophobicContact CG-CG1 3.91Å; C120-V122 HydrophobicContact CB-CG1 4.1Å; V122-E137 HydrophobicContact CG2-CB 3.76Å; V122-E137 PolarHBondContact N-O 2.84Å; V122-E137 PolarHBondContact O-N 3.37Å; V122-I139 HydrophobicContact CG1-CD1 3.7Å; V122-I139 HydrophobicContact CG1-CG1 3.7Å; V122-I139 HydrophobicContact CG2-CD1 4.31Å; V122-I139 HydrophobicContact CG2-CG1 4.12Å; V122-I139 HydrophobicContact CG2-CG2 3.81Å |
| 123 | W | 85.2 | Confident | 88.5 | Confident | 89 Ų | 89 | 60.1 Ų | 60.1 | 34% | 0.337 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 125.4 | 166.4 | -71.8 | 112.4 | 0 | 0 | 0 | 110.1 | V96 S97 L99 V135 N136 | V96-W123 CarbonylContact C-O 3.6Å; V96-W123 VanDerWaalsContact CA-O 3.28Å; V96-W123 WeakPolarHBondContact CA-O 3.25Å; S97-W123 PolarHBondContact N-O 2.05Å; S97-W123 PolarHBondContact O-N 3.01Å; L99-W123 VanDerWaalsContact CD1-CD1 3.44Å; L99-W123 HydrophobicContact CD1-CG 4.29Å; W123-V135 VanDerWaalsContact CE3-C 3.44Å; W123-N136 VanDerWaalsContact CE2-OD1 3.23Å; W123-N136 HydrophobicContact CE3-CB 4.34Å; W123-N136 HydrophobicContact CH2-CB 4.35Å; W123-N136 WeakPolarHBondContact CH2-ND2 3.48Å; W123-N136 WeakPolarHBondContact CH2-OD1 3.3Å; W123-N136 WeakPolarHBondContact CZ2-OD1 3.29Å; W123-N136 HydrophobicContact CZ3-CB 3.95Å; W123-N136 WeakPolarHBondContact CZ3-ND2 3.18Å; W123-N136 WeakPolarHBondContact CZ3-OD1 3.11Å |
| 124 | R | 85.6 | Confident | 88.3 | Confident | 63 Ų | 63 | 56 Ų | 56 | 24% | 0.238 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 126.8 | 166.9 | 179.5 | 178.4 | 175.2 | -170 | -3.7 | 109.7 | Y134 V135 E137 N173 | R124-Y134 WeakPolarHBondContact O-CA 3.15Å; R124-V135 HydrophobicContact CB-CB 4.48Å; R124-V135 PolarHBondContact N-O 2.78Å; R124-V135 PolarHBondContact O-N 2.9Å; R124-E137 HydrophobicContact CB-CG 4.3Å; R124-E137 WeakPolarHBondContact CD-OE1 3.42Å; R124-E137 IonicContact CZ-OE1 3.96Å; R124-E137 IonicContact NH1-OE1 2.65Å; R124-E137 PolarHBondContact NH1-OE1 2.93Å; R124-N173 PolarHBondContact NH1-O 2.88Å; R124-N173 VanDerWaalsContact NH1-O 3.07Å |
| 125 | R | 84.4 | Confident | 88.2 | Confident | 82 Ų | 82 | 51.1 Ų | 51.1 | 31% | 0.309 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 120 | 173.3 | -168.4 | 176.1 | -173.2 | -176.4 | -0.1 | 111 | F92 T95 Q133 Y134 | F92-R125 HydrophobicContact CE1-CG 4.11Å; F92-R125 HydrophobicContact CZ-CG 4.08Å; T95-R125 PolarHBondContact O-N 2.79Å; R125-Q133 HydrophobicContact CG-CG 4.25Å; R125-Y134 HydrophobicContact CB-CD1 4.2Å; R125-Y134 HydrophobicContact CB-CE1 4.04Å; R125-Y134 HydrophobicContact CG-CD1 4.15Å; R125-Y134 HydrophobicContact CG-CE1 3.68Å; R125-Y134 PolarHBondContact NE-OH 3.14Å |
| 126 | L | 84.9 | Confident | 88.1 | Confident | 5 Ų | 5 | 54.7 Ų | 54.7 | 3% | 0.026 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -82.2 | 161.1 | 170 | -58.1 | -175.4 | 0 | 0 | 0 | 110.8 | Y130 P132 Q133 V135 V162 I172 | L126-Y130 HydrophobicContact CB-CG 4.2Å; L126-Y130 HydrophobicContact CD1-CD1 4.19Å; L126-Y130 HydrophobicContact CD1-CG 4.35Å; L126-P132 WeakPolarHBondContact CD1-O 3.32Å; L126-Q133 WeakPolarHBondContact CB-O 3.28Å; L126-Q133 PolarHBondContact N-O 2.65Å; L126-Q133 VanDerWaalsContact O-CG 3.3Å; L126-Q133 WeakPolarHBondContact O-CG 3.28Å; L126-Q133 PolarHBondContact O-NE2 2.85Å; L126-V135 HydrophobicContact CD1-CG2 3.68Å; L126-V135 HydrophobicContact CD2-CG2 4.42Å; L126-V135 HydrophobicContact CG-CG2 3.89Å; L126-V162 HydrophobicContact CD1-CG1 4.14Å; L126-V162 HydrophobicContact CD1-CG2 4.48Å; L126-I172 HydrophobicContact CD1-CD1 3.7Å; L126-I172 HydrophobicContact CD2-CD1 4.02Å; L126-I172 HydrophobicContact CG-CD1 4.49Å |
| 127 | P | 86.1 | Confident | 88 | Confident | 13 Ų | 13 | 51 Ų | 51 | 8% | 0.084 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -54.1 | 155.2 | 172.5 | -26.2 | 37.4 | 0 | 0 | 0 | 112.5 | L93 D129 Y130 | L93-P127 HydrophobicContact CD2-CG 3.43Å; L93-P127 VanDerWaalsContact CD2-CG 3.43Å; P127-D129 WeakPolarHBondContact CB-OD1 3.41Å; P127-D129 PolarHBondContact O-N 3.14Å; P127-D129 VanDerWaalsContact O-N 3.1Å; P127-Y130 HydrophobicContact CB-CD2 3.78Å; P127-Y130 HydrophobicContact CB-CE2 4.04Å; P127-Y130 HydrophobicContact CG-CD2 4.01Å; P127-Y130 HydrophobicContact CG-CE2 3.97Å; P127-Y130 WeakPolarHBondContact O-CB 3.45Å; P127-Y130 PolarHBondContact O-N 3.25Å |
| 128 | S | 85.9 | Confident | 87.9 | Confident | 106 Ų | 106 | 51.5 Ų | 51.5 | 74% | 0.741 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -16.3 | -173.4 | 53.3 | 0 | 0 | 0 | 0 | 114.7 | Y130 | S128-Y130 VanDerWaalsContact C-N 3.29Š|
| 129 | D | 86.4 | Confident | 87.9 | Confident | 45 Ų | 45 | 52.7 Ų | 52.7 | 24% | 0.241 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | 2.7 | 174.4 | 60.4 | -41.4 | 0 | 0 | 0 | 113.7 | P127 R164 N165 | P127-D129 WeakPolarHBondContact CB-OD1 3.41Å; P127-D129 PolarHBondContact O-N 3.14Å; P127-D129 VanDerWaalsContact O-N 3.1Å; D129-R164 CarbonylContact O-C 3.53Å; D129-R164 VanDerWaalsContact O-CA 3.3Å; D129-R164 WeakPolarHBondContact O-CA 3.45Å; D129-R164 IonicContact OD2-CZ 3.71Å; D129-R164 VanDerWaalsContact OD2-CZ 3.32Å; D129-R164 IonicContact OD2-NE 3.06Å; D129-R164 PolarHBondContact OD2-NE 2.91Å; D129-R164 IonicContact OD2-NH2 2.67Å; D129-R164 PolarHBondContact OD2-NH2 2.94Å; D129-N165 WeakPolarHBondContact CB-OD1 3.4Å; D129-N165 PolarHBondContact O-N 3.12Å |
| 130 | Y | 87.5 | Confident | 87.9 | Confident | 49 Ų | 49 | 52.9 Ų | 52.9 | 19% | 0.192 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 147.6 | 179.1 | -73.4 | -107 | 0 | 0 | 0 | 113 | L126 P127 S128 V162 L163 R164 V170 | L126-Y130 HydrophobicContact CB-CG 4.2Å; L126-Y130 HydrophobicContact CD1-CD1 4.19Å; L126-Y130 HydrophobicContact CD1-CG 4.35Å; P127-Y130 HydrophobicContact CB-CD2 3.78Å; P127-Y130 HydrophobicContact CB-CE2 4.04Å; P127-Y130 HydrophobicContact CG-CD2 4.01Å; P127-Y130 HydrophobicContact CG-CE2 3.97Å; P127-Y130 WeakPolarHBondContact O-CB 3.45Å; P127-Y130 PolarHBondContact O-N 3.25Å; S128-Y130 VanDerWaalsContact C-N 3.29Å; Y130-V162 HydrophobicContact CD1-CB 4.46Å; Y130-V162 HydrophobicContact CD1-CG2 3.65Å; Y130-V162 HydrophobicContact CE1-CG2 4.02Å; Y130-L163 CarbonylContact C-O 3.5Å; Y130-L163 VanDerWaalsContact CA-O 3.23Å; Y130-L163 WeakPolarHBondContact CA-O 3.46Å; Y130-R164 HydrophobicContact CD1-CB 4.46Å; Y130-R164 HydrophobicContact CD2-CG 4.26Å; Y130-R164 HydrophobicContact CE1-CB 4.32Å; Y130-R164 HydrophobicContact CE1-CG 4.29Å; Y130-R164 HydrophobicContact CE2-CG 3.96Å; Y130-V170 HydrophobicContact CE1-CG1 4.46Å |
| 131 | F | 85.8 | Confident | 87.8 | Confident | 143 Ų | 143 | 54.3 Ų | 54.3 | 63% | 0.627 | 26% | 0.259 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 130.3 | 172.9 | -178.6 | -92.2 | 0 | 0 | 0 | 111.7 | L163 | F131-L163 HydrophobicContact CB-CB 4.31Å; F131-L163 HydrophobicContact CD1-CD1 4.25Å; F131-L163 PolarHBondContact N-O 3Å; F131-L163 PolarHBondContact O-N 2.03Å |
| 132 | P | 88.4 | Confident | 87.7 | Confident | 58 Ų | 58 | 58.1 Ų | 58.1 | 38% | 0.377 | 28% | 0.281 | S | S | . | . | S | Bend | cis | -66.7 | 145.7 | -7.5 | 29.6 | -35.2 | 0 | 0 | 0 | 111.5 | L126 Y134 | L126-P132 WeakPolarHBondContact CD1-O 3.32Å; P132-Y134 VanDerWaalsContact C-N 3.33Å |
| 133 | Q | 85 | Confident | 87.7 | Confident | 47 Ų | 47 | 60.4 Ų | 60.4 | 22% | 0.22 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -71 | -29.8 | 179.8 | -172.5 | 176.8 | 27.6 | 0 | 0 | 112.3 | R125 L126 | R125-Q133 HydrophobicContact CG-CG 4.25Å; L126-Q133 WeakPolarHBondContact CB-O 3.28Å; L126-Q133 PolarHBondContact N-O 2.65Å; L126-Q133 VanDerWaalsContact O-CG 3.3Å; L126-Q133 WeakPolarHBondContact O-CG 3.28Å; L126-Q133 PolarHBondContact O-NE2 2.85Å |
| 134 | Y | 87.1 | Confident | 88 | Confident | 114 Ų | 114 | 59.8 Ų | 59.8 | 45% | 0.447 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 130.7 | -179.7 | -62 | -83.6 | 0 | 0 | 0 | 109.7 | R124 R125 P132 | R124-Y134 WeakPolarHBondContact O-CA 3.15Å; R125-Y134 HydrophobicContact CB-CD1 4.2Å; R125-Y134 HydrophobicContact CB-CE1 4.04Å; R125-Y134 HydrophobicContact CG-CD1 4.15Å; R125-Y134 HydrophobicContact CG-CE1 3.68Å; R125-Y134 PolarHBondContact NE-OH 3.14Å; P132-Y134 VanDerWaalsContact C-N 3.33Å |
| 135 | V | 88.7 | Confident | 88.3 | Confident | 5 Ų | 5 | 63 Ų | 63 | 3% | 0.03 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 127.4 | -177.8 | 175.4 | 0 | 0 | 0 | 0 | 109.2 | W123 R124 L126 E137 M160 I172 T174 | W123-V135 VanDerWaalsContact CE3-C 3.44Å; R124-V135 HydrophobicContact CB-CB 4.48Å; R124-V135 PolarHBondContact N-O 2.78Å; R124-V135 PolarHBondContact O-N 2.9Å; L126-V135 HydrophobicContact CD1-CG2 3.68Å; L126-V135 HydrophobicContact CD2-CG2 4.42Å; L126-V135 HydrophobicContact CG-CG2 3.89Å; V135-E137 HydrophobicContact CG1-CG 4.04Å; V135-E137 PolarHBondContact O-N 2.83Å; V135-M160 HydrophobicContact CB-CE 3.98Å; V135-M160 HydrophobicContact CG1-CE 3.31Å; V135-M160 HydrophobicContact CG1-SD 4.27Å; V135-M160 HydrophobicContact CG2-CE 3.39Å; V135-I172 HydrophobicContact CG2-CD1 4.32Å; V135-T174 HydrophobicContact CG1-CG2 3.65Å |
| 136 | N | 88.6 | Confident | 88.7 | Confident | 84 Ų | 84 | 59 Ų | 59 | 45% | 0.449 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 123.3 | 170.5 | -88.1 | -37.3 | 0 | 0 | 0 | 109.3 | W123 | W123-N136 VanDerWaalsContact CE2-OD1 3.23Å; W123-N136 HydrophobicContact CE3-CB 4.34Å; W123-N136 HydrophobicContact CH2-CB 4.35Å; W123-N136 WeakPolarHBondContact CH2-ND2 3.48Å; W123-N136 WeakPolarHBondContact CH2-OD1 3.3Å; W123-N136 WeakPolarHBondContact CZ2-OD1 3.29Å; W123-N136 HydrophobicContact CZ3-CB 3.95Å; W123-N136 WeakPolarHBondContact CZ3-ND2 3.18Å; W123-N136 WeakPolarHBondContact CZ3-OD1 3.11Å |
| 137 | E | 90.5 | Very high | 88.9 | Confident | 13 Ų | 13 | 61.2 Ų | 61.2 | 6% | 0.061 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 150.4 | 171.9 | -65.5 | -171.5 | 165.7 | 0 | 0 | 110 | V122 R124 V135 I139 T174 A175 | V122-E137 HydrophobicContact CG2-CB 3.76Å; V122-E137 PolarHBondContact N-O 2.84Å; V122-E137 PolarHBondContact O-N 3.37Å; R124-E137 HydrophobicContact CB-CG 4.3Å; R124-E137 WeakPolarHBondContact CD-OE1 3.42Å; R124-E137 IonicContact CZ-OE1 3.96Å; R124-E137 IonicContact NH1-OE1 2.65Å; R124-E137 PolarHBondContact NH1-OE1 2.93Å; V135-E137 HydrophobicContact CG1-CG 4.04Å; V135-E137 PolarHBondContact O-N 2.83Å; E137-I139 HydrophobicContact CB-CG2 4.42Å; E137-T174 WeakPolarHBondContact OE1-CA 3.01Å; E137-A175 CarbonylContact C-O 3.55Å; E137-A175 WeakPolarHBondContact CA-O 3.36Å; E137-A175 HydrophobicContact CB-CB 4.18Å; E137-A175 VanDerWaalsContact CB-O 3.29Å; E137-A175 WeakPolarHBondContact CB-O 2.97Å; E137-A175 HydrophobicContact CG-CB 4.46Å |
| 138 | L | 91.6 | Very high | 88.9 | Confident | 19 Ų | 19 | 66.5 Ų | 66.5 | 10% | 0.099 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 112.3 | 166 | -166.1 | 82.9 | 0 | 0 | 0 | 107.8 | V119 C120 W121 Q155 A175 N176 F177 | V119-L138 HydrophobicContact CB-CD1 4.23Å; V119-L138 HydrophobicContact CB-CD2 4.03Å; V119-L138 HydrophobicContact CB-CG 4.12Å; V119-L138 HydrophobicContact CG1-CD2 4.14Å; V119-L138 HydrophobicContact CG2-CD1 4.46Å; V119-L138 HydrophobicContact CG2-CD2 4.47Å; C120-L138 WeakPolarHBondContact O-CA 3.31Å; W121-L138 HydrophobicContact CD2-CD1 3.34Å; W121-L138 VanDerWaalsContact CE2-CD1 3.45Å; W121-L138 HydrophobicContact CE3-CB 4.31Å; W121-L138 HydrophobicContact CE3-CD1 3.65Å; W121-L138 HydrophobicContact CG-CD1 3.76Å; W121-L138 HydrophobicContact CH2-CD1 4.12Å; W121-L138 HydrophobicContact CZ2-CD1 3.85Å; W121-L138 HydrophobicContact CZ3-CB 4.21Å; W121-L138 HydrophobicContact CZ3-CD1 4.02Å; L138-Q155 PolarHBondContact O-NE2 3.03Å; L138-A175 PolarHBondContact N-O 2.84Å; L138-A175 CarbonylContact O-C 3.59Å; L138-N176 VanDerWaalsContact CB-O 3.28Å; L138-N176 WeakPolarHBondContact CB-O 2.93Å; L138-F177 HydrophobicContact CD2-CB 4.36Å |
| 139 | I | 93.4 | Very high | 89.1 | Confident | 37 Ų | 37 | 63.5 Ų | 63.5 | 19% | 0.19 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 149.7 | -177 | 64.8 | 168.1 | 0 | 0 | 0 | 112.1 | V96 V119 C120 V122 E137 A175 C178 | V96-I139 HydrophobicContact CG1-CD1 4.12Å; V119-I139 WeakPolarHBondContact CA-O 3.49Å; C120-I139 HydrophobicContact CB-CG1 4.03Å; C120-I139 PolarHBondContact N-O 2.85Å; C120-I139 PolarHBondContact O-N 3.07Å; V122-I139 HydrophobicContact CG1-CD1 3.7Å; V122-I139 HydrophobicContact CG1-CG1 3.7Å; V122-I139 HydrophobicContact CG2-CD1 4.31Å; V122-I139 HydrophobicContact CG2-CG1 4.12Å; V122-I139 HydrophobicContact CG2-CG2 3.81Å; E137-I139 HydrophobicContact CB-CG2 4.42Å; I139-A175 HydrophobicContact CG2-CB 3.8Å; I139-C178 VanDerWaalsContact C-SG 3.58Å |
| 140 | C | 92.7 | Very high | 89.3 | Confident | 27 Ų | 27 | 68.3 Ų | 68.3 | 18% | 0.182 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 146.7 | 170.5 | -45.6 | 0 | 0 | 0 | 0 | 110.1 | Q155 C178 | C140-Q155 WeakPolarHBondContact SG-CA 3.49Å; C140-Q155 PolarHBondContact SG-N 2.88Å; C140-Q155 VanDerWaalsContact SG-N 3.44Å; C140-C178 WeakPolarHBondContact CA-SG 3.31Å; C140-C178 HydrophobicContact CB-CB 4.14Å; C140-C178 WeakPolarHBondContact CB-SG 3.27Å; C140-C178 PolarHBondContact N-SG 2.94Å; C140-C178 VanDerWaalsContact SG-CA 3.58Å; C140-C178 WeakPolarHBondContact SG-CB 3.37Å; C140-C178 CovalentContact SG-SG 2.03Å; C140-C178 PolarHBondContact SG-SG 2.93Å |
| 141 | D | 87.9 | Confident | 89.5 | Confident | 36 Ų | 36 | 66.5 Ų | 66.5 | 19% | 0.193 | 35% | 0.346 | C | S | . | . | trans | -74.3 | 173.1 | 168.7 | -165 | 22.6 | 0 | 0 | 0 | 111.7 | R103 N118 D143 | R103-D141 IonicContact CZ-OD2 3.9Å; R103-D141 IonicContact NH1-OD2 2.78Å; R103-D141 PolarHBondContact NH1-OD2 3.12Å; N118-D141 HydrophobicContact CB-CB 3.38Å; N118-D141 PolarHBondContact ND2-OD2 2.83Å; N118-D141 VanDerWaalsContact ND2-OD2 3.14Å; N118-D141 PolarHBondContact O-N 2.95Å; D141-D143 VanDerWaalsContact C-N 3.29Å; D141-D143 PolarHBondContact O-N 3.41Å | ||
| 142 | E | 87.5 | Confident | 89.9 | Confident | 185 Ų | 185 | 62 Ų | 62 | 86% | 0.864 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -67.9 | -24.9 | 176.9 | -63.9 | -178.9 | -178.6 | 0 | 0 | 113.2 | T144 | E142-T144 PolarHBondContact O-N 2.97Š|
| 143 | D | 87.7 | Confident | 90.3 | Very high | 49 Ų | 49 | 59.5 Ų | 59.5 | 26% | 0.262 | 31% | 0.314 | S | S | . | . | trans | -71.5 | 101.3 | 170.6 | -177.4 | 14.8 | 0 | 0 | 0 | 110.3 | R104 D141 K145 | R104-D143 IonicContact CZ-OD2 3.71Å; R104-D143 IonicContact NH1-OD1 3.89Å; R104-D143 IonicContact NH1-OD2 2.91Å; R104-D143 PolarHBondContact NH1-OD2 2.91Å; R104-D143 IonicContact NH2-OD2 3.84Å; D141-D143 VanDerWaalsContact C-N 3.29Å; D141-D143 PolarHBondContact O-N 3.41Å; D143-K145 VanDerWaalsContact C-N 3.31Å; D143-K145 PolarHBondContact O-N 3.05Å; D143-K145 WeakPolarHBondContact OD1-CB 3.28Å; D143-K145 PolarHBondContact OD1-N 3.43Å | ||
| 144 | T | 91.6 | Very high | 90.8 | Very high | 75 Ų | 75 | 62.9 Ų | 62.9 | 46% | 0.46 | 33% | 0.328 | S | S | . | . | trans | -85.1 | 2.8 | 179.1 | 63.1 | 0 | 0 | 0 | 0 | 113.4 | E142 T152 C153 | E142-T144 PolarHBondContact O-N 2.97Å; T144-T152 CarbonylContact O-C 3.49Å; T144-T152 WeakPolarHBondContact O-CA 3.4Å; T144-T152 PolarHBondContact O-OG1 2.94Å; T144-C153 PolarHBondContact O-N 3.49Å | ||
| 145 | K | 92.7 | Very high | 91.1 | Very high | 130 Ų | 130 | 60.5 Ų | 60.5 | 57% | 0.565 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 137.7 | -177.1 | -62.4 | 173.8 | -176.6 | 175.3 | 0 | 111.5 | R104 D143 | R104-K145 PolarHBondContact NH1-O 3.25Å; D143-K145 VanDerWaalsContact C-N 3.31Å; D143-K145 PolarHBondContact O-N 3.05Å; D143-K145 WeakPolarHBondContact OD1-CB 3.28Å; D143-K145 PolarHBondContact OD1-N 3.43Å |
| 146 | C | 93.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 165.9 | 165.8 | 55.8 | 0 | 0 | 0 | 0 | 111.2 | L116 S148 G149 W150 G151 T152 C153 C180 | L116-C146 HydrophobicContact CB-CB 4.47Å; L116-C146 WeakPolarHBondContact O-CB 3.39Å; C146-S148 VanDerWaalsContact C-N 3.32Å; C146-S148 PolarHBondContact O-N 3.44Å; C146-G149 WeakPolarHBondContact O-CA 3.15Å; C146-G149 PolarHBondContact O-N 2.94Å; C146-W150 PolarHBondContact O-N 3.16Å; C146-G151 PolarHBondContact N-O 2.03Å; C146-G151 PolarHBondContact O-N 2.97Å; C146-G151 VanDerWaalsContact SG-CA 3.53Å; C146-T152 PolarHBondContact SG-N 3.33Å; C146-T152 VanDerWaalsContact SG-N 3.39Å; C146-C153 VanDerWaalsContact CB-SG 3.55Å; C146-C180 HydrophobicContact CB-CB 3.71Å; C146-C180 WeakPolarHBondContact CB-SG 3.32Å; C146-C180 WeakPolarHBondContact SG-CA 3.43Å; C146-C180 WeakPolarHBondContact SG-CB 3.38Å; C146-C180 CovalentContact SG-SG 2.02Å; C146-C180 PolarHBondContact SG-SG 3.44Å |
| 147 | L | 89.6 | Confident | 91.6 | Very high | 50 Ų | 50 | 68 Ų | 68 | 26% | 0.262 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | 50.1 | 50.6 | -177.5 | -61 | 168.4 | 0 | 0 | 0 | 111.9 | L116 G149 W150 V182 M188 | L116-L147 HydrophobicContact CD1-CD2 4.49Å; L116-L147 HydrophobicContact CD2-CD2 3.86Å; L147-G149 PolarHBondContact O-N 3.12Å; L147-W150 HydrophobicContact CB-CB 4.2Å; L147-W150 WeakPolarHBondContact O-CB 2.95Å; L147-W150 VanDerWaalsContact O-CD1 3.24Å; L147-W150 PolarHBondContact O-N 2.76Å; L147-V182 HydrophobicContact CD1-CG2 3.61Å; L147-M188 HydrophobicContact CD1-CE 4.01Å; L147-M188 HydrophobicContact CD1-CG 4.48Å; L147-M188 HydrophobicContact CD2-CE 4.37Å |
| 148 | S | 85.2 | Confident | 91.7 | Very high | 124 Ų | 124 | 75.6 Ų | 75.6 | 87% | 0.867 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | 56.3 | 24.1 | -177.2 | -55.4 | 0 | 0 | 0 | 0 | 115 | C146 | C146-S148 VanDerWaalsContact C-N 3.32Å; C146-S148 PolarHBondContact O-N 3.44Å |
| 149 | G | 89.3 | Confident | 91.7 | Very high | 44 Ų | 44 | 78 Ų | 78 | 45% | 0.454 | 40% | 0.395 | S | S | . | . | G | 310 helix | trans | 99 | -2.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | C146 L147 G151 | C146-G149 WeakPolarHBondContact O-CA 3.15Å; C146-G149 PolarHBondContact O-N 2.94Å; L147-G149 PolarHBondContact O-N 3.12Å; G149-G151 PolarHBondContact O-N 3.03Å |
| 150 | W | 90.5 | Very high | 91.5 | Very high | 146 Ų | 146 | 79.1 Ų | 79.1 | 55% | 0.553 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -17.3 | 173.8 | -72.2 | 100.8 | 0 | 0 | 0 | 113.6 | C146 L147 V187 M188 | C146-W150 PolarHBondContact O-N 3.16Å; L147-W150 HydrophobicContact CB-CB 4.2Å; L147-W150 WeakPolarHBondContact O-CB 2.95Å; L147-W150 VanDerWaalsContact O-CD1 3.24Å; L147-W150 PolarHBondContact O-N 2.76Å; W150-V187 HydrophobicContact CZ3-CB 4.4Å; W150-M188 HydrophobicContact CB-CB 4.29Å; W150-M188 HydrophobicContact CB-CG 4.21Å; W150-M188 HydrophobicContact CE3-CB 4.31Å |
| 151 | G | 92.6 | Very high | 91.4 | Very high | 10 Ų | 10 | 84.8 Ų | 84.8 | 10% | 0.103 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 168 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | C146 G149 F181 | C146-G151 PolarHBondContact N-O 2.03Å; C146-G151 PolarHBondContact O-N 2.97Å; C146-G151 VanDerWaalsContact SG-CA 3.53Å; G149-G151 PolarHBondContact O-N 3.03Å; G151-F181 CarbonylContact C-O 3.45Å; G151-F181 WeakPolarHBondContact CA-O 3.26Å |
| 152 | T | 95.1 | Very high | 91.4 | Very high | 48 Ų | 48 | 83.2 Ų | 83.2 | 29% | 0.294 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 124.8 | 174.8 | -178.3 | 0 | 0 | 0 | 0 | 112 | T144 C146 K154 F181 | T144-T152 CarbonylContact O-C 3.49Å; T144-T152 WeakPolarHBondContact O-CA 3.4Å; T144-T152 PolarHBondContact O-OG1 2.94Å; C146-T152 PolarHBondContact SG-N 3.33Å; C146-T152 VanDerWaalsContact SG-N 3.39Å; T152-K154 HydrophobicContact CG2-CD 4.46Å; T152-K154 HydrophobicContact CG2-CG 4.36Å; T152-F181 HydrophobicContact CG2-CB 4.28Å; T152-F181 PolarHBondContact N-O 2.84Å; T152-F181 PolarHBondContact O-N 2.96Å |
| 153 | C | 95.7 | Very high | 91.5 | Very high | 6 Ų | 6 | 77.7 Ų | 77.7 | 4% | 0.041 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 125.7 | 168.1 | -62.3 | 0 | 0 | 0 | 0 | 110 | C117 T144 C146 D179 | C117-C153 WeakPolarHBondContact CA-SG 3Å; C117-C153 HydrophobicContact CB-CB 3.83Å; C117-C153 WeakPolarHBondContact CB-SG 3.32Å; C117-C153 WeakPolarHBondContact SG-CB 3.31Å; C117-C153 CovalentContact SG-SG 2.03Å; C117-C153 PolarHBondContact SG-SG 2.68Å; T144-C153 PolarHBondContact O-N 3.49Å; C146-C153 VanDerWaalsContact CB-SG 3.55Å; C153-D179 CarbonylContact C-O 3.56Å; C153-D179 VanDerWaalsContact CA-O 3.26Å; C153-D179 WeakPolarHBondContact CA-O 3.26Å |
| 154 | K | 95 | Very high | 91.6 | Very high | 118 Ų | 118 | 80.1 Ų | 80.1 | 51% | 0.513 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 142.9 | 173.8 | -62 | 179 | 175.9 | 175.6 | 0 | 111.2 | T152 R156 D179 F181 | T152-K154 HydrophobicContact CG2-CD 4.46Å; T152-K154 HydrophobicContact CG2-CG 4.36Å; K154-R156 PolarHBondContact O-N 3.25Å; K154-D179 PolarHBondContact N-O 2.02Å; K154-D179 PolarHBondContact O-N 2.87Å; K154-F181 HydrophobicContact CB-CD2 3.86Å; K154-F181 HydrophobicContact CB-CE2 3.75Å; K154-F181 HydrophobicContact CD-CD2 3.97Å; K154-F181 HydrophobicContact CD-CE2 4.33Å; K154-F181 HydrophobicContact CG-CD2 3.99Å; K154-F181 HydrophobicContact CG-CE2 4.36Å |
| 155 | Q | 95 | Very high | 91.2 | Very high | 64 Ų | 64 | 80.9 Ų | 80.9 | 30% | 0.299 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 128 | 173.6 | -176 | 67.8 | 63.5 | 0 | 0 | 110.5 | L138 C140 Q157 A175 F177 | L138-Q155 PolarHBondContact O-NE2 3.03Å; C140-Q155 WeakPolarHBondContact SG-CA 3.49Å; C140-Q155 PolarHBondContact SG-N 2.88Å; C140-Q155 VanDerWaalsContact SG-N 3.44Å; Q155-Q157 HydrophobicContact CG-CG 4.35Å; Q155-A175 HydrophobicContact CG-CB 4.19Å; Q155-A175 VanDerWaalsContact NE2-CB 3.32Å; Q155-F177 PolarHBondContact NE2-O 2.54Å; Q155-F177 VanDerWaalsContact NE2-O 3.12Å |
| 156 | R | 93.8 | Very high | 90.2 | Very high | 120 Ų | 120 | 82.2 Ų | 82.2 | 45% | 0.453 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 139.4 | 163.5 | -71 | -171.2 | 68.9 | 175.3 | 3.6 | 111 | K154 N176 F177 D179 | K154-R156 PolarHBondContact O-N 3.25Å; R156-N176 PolarHBondContact O-N 3.42Å; R156-N176 VanDerWaalsContact O-N 3.16Å; R156-F177 HydrophobicContact CB-CD1 4.27Å; R156-F177 HydrophobicContact CB-CD2 4.32Å; R156-F177 HydrophobicContact CB-CE1 3.95Å; R156-F177 HydrophobicContact CB-CE2 4.07Å; R156-F177 HydrophobicContact CB-CG 4.43Å; R156-F177 HydrophobicContact CB-CZ 3.85Å; R156-F177 VanDerWaalsContact CD-CE2 3.45Å; R156-F177 HydrophobicContact CG-CE2 4.24Å; R156-F177 HydrophobicContact CG-CZ 4.29Å; R156-F177 PolarHBondContact N-O 3.46Å; R156-D179 WeakPolarHBondContact CD-OD2 3.02Å; R156-D179 IonicContact CZ-OD2 3.83Å; R156-D179 IonicContact NE-OD2 3.83Å; R156-D179 IonicContact NH1-OD2 2.97Å; R156-D179 PolarHBondContact NH1-OD2 3.32Å |
| 157 | Q | 93.3 | Very high | 89.6 | Confident | 127 Ų | 127 | 84.4 Ų | 84.4 | 59% | 0.593 | 44% | 0.44 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 148.4 | 178.5 | -64.9 | -176.2 | -18.7 | 0 | 0 | 109.9 | Q155 T174 | Q155-Q157 HydrophobicContact CG-CG 4.35Å; Q157-T174 CarbonylContact C-O 3.5Å; Q157-T174 WeakPolarHBondContact CA-O 3.25Å |
| 158 | R | 91.6 | Very high | 89.6 | Confident | 173 Ų | 173 | 86.2 Ų | 86.2 | 65% | 0.653 | 45% | 0.453 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 140.6 | 171.8 | -169.2 | -177.8 | 173.4 | 176.2 | -0.2 | 108.7 | T174 N176 | R158-T174 PolarHBondContact N-O 3.39Å; R158-T174 PolarHBondContact O-N 2.92Å; R158-T174 PolarHBondContact O-OG1 2.74Å; R158-N176 VanDerWaalsContact CB-ND2 3.28Å; R158-N176 WeakPolarHBondContact CB-ND2 3.26Å |
| 159 | S | 92 | Very high | 89.9 | Confident | 70 Ų | 70 | 84 Ų | 84 | 49% | 0.49 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 136.1 | 170 | 54.3 | 0 | 0 | 0 | 0 | 110.4 | I172 | S159-I172 CarbonylContact C-O 3.59Å; S159-I172 VanDerWaalsContact CA-O 3.32Å; S159-I172 WeakPolarHBondContact CA-O 2.98Å |
| 160 | M | 89.2 | Confident | 90 | Very high | 59 Ų | 59 | 83.9 Ų | 83.9 | 29% | 0.291 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 157 | 168.5 | 72.2 | 176.4 | -162 | 0 | 0 | 110.6 | V135 V162 T171 I172 T174 | V135-M160 HydrophobicContact CB-CE 3.98Å; V135-M160 HydrophobicContact CG1-CE 3.31Å; V135-M160 HydrophobicContact CG1-SD 4.27Å; V135-M160 HydrophobicContact CG2-CE 3.39Å; M160-V162 HydrophobicContact CE-CG1 3.73Å; M160-T171 CarbonylContact O-C 3.39Å; M160-T171 WeakPolarHBondContact O-CA 3.05Å; M160-I172 HydrophobicContact CE-CD1 3.68Å; M160-I172 HydrophobicContact CE-CG1 4.15Å; M160-I172 HydrophobicContact CG-CD1 4.5Å; M160-I172 HydrophobicContact CG-CG1 3.95Å; M160-I172 PolarHBondContact N-O 3.05Å; M160-I172 PolarHBondContact O-N 3.33Å; M160-T174 HydrophobicContact CE-CG2 3.56Å; M160-T174 HydrophobicContact CG-CG2 3.76Å; M160-T174 HydrophobicContact SD-CG2 3.62Å |
| 161 | E | 90.3 | Very high | 90 | Very high | 146 Ų | 146 | 81 Ų | 81 | 68% | 0.682 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 132.4 | 179.3 | -69.5 | -178.6 | 177.9 | 0 | 0 | 110.6 | T169 | E161-T169 HydrophobicContact CB-CG2 3.75Å; E161-T169 HydrophobicContact CG-CG2 3.85Å |
| 162 | V | 89.4 | Confident | 89.9 | Confident | 3 Ų | 3 | 81.6 Ų | 81.6 | 2% | 0.018 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 151.5 | 172.8 | -65.7 | 0 | 0 | 0 | 0 | 109.1 | L126 Y130 M160 V170 I172 | L126-V162 HydrophobicContact CD1-CG1 4.14Å; L126-V162 HydrophobicContact CD1-CG2 4.48Å; Y130-V162 HydrophobicContact CD1-CB 4.46Å; Y130-V162 HydrophobicContact CD1-CG2 3.65Å; Y130-V162 HydrophobicContact CE1-CG2 4.02Å; M160-V162 HydrophobicContact CE-CG1 3.73Å; V162-V170 HydrophobicContact CG2-CB 4.43Å; V162-V170 VanDerWaalsContact CG2-O 3.31Å; V162-V170 WeakPolarHBondContact CG2-O 3.35Å; V162-V170 PolarHBondContact N-O 3.06Å; V162-V170 PolarHBondContact O-N 3.47Å; V162-V170 VanDerWaalsContact O-O 3.12Å; V162-I172 HydrophobicContact CB-CD1 4.49Å; V162-I172 HydrophobicContact CG1-CD1 3.62Å; V162-I172 HydrophobicContact CG1-CG1 3.86Å; V162-I172 HydrophobicContact CG2-CB 4.39Å; V162-I172 HydrophobicContact CG2-CD1 4.01Å; V162-I172 HydrophobicContact CG2-CG1 3.9Å; V162-I172 HydrophobicContact CG2-CG2 3.67Å |
| 163 | L | 88.2 | Confident | 89.7 | Confident | 69 Ų | 69 | 83.8 Ų | 83.8 | 36% | 0.361 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 141.3 | 175.1 | -61.8 | 175.9 | 0 | 0 | 0 | 109.6 | Y130 F131 T168 | Y130-L163 CarbonylContact C-O 3.5Å; Y130-L163 VanDerWaalsContact CA-O 3.23Å; Y130-L163 WeakPolarHBondContact CA-O 3.46Å; F131-L163 HydrophobicContact CB-CB 4.31Å; F131-L163 HydrophobicContact CD1-CD1 4.25Å; F131-L163 PolarHBondContact N-O 3Å; F131-L163 PolarHBondContact O-N 2.03Å; L163-T168 CarbonylContact C-O 3.11Å |
| 164 | R | 89.8 | Confident | 89.5 | Confident | 100 Ų | 100 | 83.6 Ų | 83.6 | 38% | 0.377 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 141.8 | 172.1 | -167.3 | -174.7 | 179.4 | -135.1 | -7.8 | 109.7 | D129 Y130 V166 G167 T168 V170 | D129-R164 CarbonylContact O-C 3.53Å; D129-R164 VanDerWaalsContact O-CA 3.3Å; D129-R164 WeakPolarHBondContact O-CA 3.45Å; D129-R164 IonicContact OD2-CZ 3.71Å; D129-R164 VanDerWaalsContact OD2-CZ 3.32Å; D129-R164 IonicContact OD2-NE 3.06Å; D129-R164 PolarHBondContact OD2-NE 2.91Å; D129-R164 IonicContact OD2-NH2 2.67Å; D129-R164 PolarHBondContact OD2-NH2 2.94Å; Y130-R164 HydrophobicContact CD1-CB 4.46Å; Y130-R164 HydrophobicContact CD2-CG 4.26Å; Y130-R164 HydrophobicContact CE1-CB 4.32Å; Y130-R164 HydrophobicContact CE1-CG 4.29Å; Y130-R164 HydrophobicContact CE2-CG 3.96Å; R164-V166 VanDerWaalsContact C-N 3.32Å; R164-V166 PolarHBondContact O-N 3.18Å; R164-G167 PolarHBondContact O-N 2.97Å; R164-T168 PolarHBondContact N-O 3.48Å; R164-T168 PolarHBondContact O-N 2.72Å; R164-V170 HydrophobicContact CB-CG2 3.74Å |
| 165 | N | 83.9 | Confident | 89.4 | Confident | 91 Ų | 91 | 78.3 Ų | 78.3 | 49% | 0.487 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49 | 49.1 | 175.9 | -64.2 | -48.3 | 0 | 0 | 0 | 113.2 | D129 G167 | D129-N165 WeakPolarHBondContact CB-OD1 3.4Å; D129-N165 PolarHBondContact O-N 3.12Å; N165-G167 PolarHBondContact O-N 2.84Å; N165-G167 VanDerWaalsContact O-N 3.12Å |
| 166 | V | 71.1 | Confident | 89.1 | Confident | 158 Ų | 158 | 78 Ų | 78 | 96% | 0.958 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.2 | 9.3 | 172.7 | -162.3 | 0 | 0 | 0 | 0 | 114.8 | R164 | R164-V166 VanDerWaalsContact C-N 3.32Å; R164-V166 PolarHBondContact O-N 3.18Å |
| 167 | G | 81.5 | Confident | 89 | Confident | 47 Ų | 47 | 75.9 Ų | 75.9 | 49% | 0.485 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 175.2 | -7.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | R164 N165 T169 | R164-G167 PolarHBondContact O-N 2.97Å; N165-G167 PolarHBondContact O-N 2.84Å; N165-G167 VanDerWaalsContact O-N 3.12Å; G167-T169 PolarHBondContact O-N 3.18Å |
| 168 | T | 89.7 | Confident | 89 | Confident | 87 Ų | 87 | 70.7 Ų | 70.7 | 53% | 0.534 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 114.8 | 176.2 | -52.6 | 0 | 0 | 0 | 0 | 110 | L163 R164 V170 | L163-T168 CarbonylContact C-O 3.11Å; R164-T168 PolarHBondContact N-O 3.48Å; R164-T168 PolarHBondContact O-N 2.72Å; T168-V170 HydrophobicContact CG2-CG2 4.36Å; T168-V170 PolarHBondContact O-N 3.39Å |
| 169 | T | 91.2 | Very high | 89.1 | Confident | 79 Ų | 79 | 64.7 Ų | 64.7 | 49% | 0.485 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 127.9 | 171.8 | -53.9 | 0 | 0 | 0 | 0 | 110.4 | E161 G167 | E161-T169 HydrophobicContact CB-CG2 3.75Å; E161-T169 HydrophobicContact CG-CG2 3.85Å; G167-T169 PolarHBondContact O-N 3.18Å |
| 170 | V | 90.6 | Very high | 89.2 | Confident | 41 Ų | 41 | 63 Ų | 63 | 25% | 0.248 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 132 | 177.2 | 179 | 0 | 0 | 0 | 0 | 108.1 | Y130 V162 R164 T168 I172 | Y130-V170 HydrophobicContact CE1-CG1 4.46Å; V162-V170 HydrophobicContact CG2-CB 4.43Å; V162-V170 VanDerWaalsContact CG2-O 3.31Å; V162-V170 WeakPolarHBondContact CG2-O 3.35Å; V162-V170 PolarHBondContact N-O 3.06Å; V162-V170 PolarHBondContact O-N 3.47Å; V162-V170 VanDerWaalsContact O-O 3.12Å; R164-V170 HydrophobicContact CB-CG2 3.74Å; T168-V170 HydrophobicContact CG2-CG2 4.36Å; T168-V170 PolarHBondContact O-N 3.39Å; V170-I172 HydrophobicContact CG1-CG2 4.41Å |
| 171 | T | 92 | Very high | 89.4 | Confident | 86 Ų | 86 | 64.2 Ų | 64.2 | 53% | 0.528 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 129.5 | 173.4 | -49.4 | 0 | 0 | 0 | 0 | 110.1 | M160 | M160-T171 CarbonylContact O-C 3.39Å; M160-T171 WeakPolarHBondContact O-CA 3.05Å |
| 172 | I | 90.1 | Very high | 89.5 | Confident | 22 Ų | 22 | 58.9 Ų | 58.9 | 11% | 0.113 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 150.2 | 173.1 | 62.7 | 165 | 0 | 0 | 0 | 110.8 | L126 V135 S159 M160 V162 V170 T174 | L126-I172 HydrophobicContact CD1-CD1 3.7Å; L126-I172 HydrophobicContact CD2-CD1 4.02Å; L126-I172 HydrophobicContact CG-CD1 4.49Å; V135-I172 HydrophobicContact CG2-CD1 4.32Å; S159-I172 CarbonylContact C-O 3.59Å; S159-I172 VanDerWaalsContact CA-O 3.32Å; S159-I172 WeakPolarHBondContact CA-O 2.98Å; M160-I172 HydrophobicContact CE-CD1 3.68Å; M160-I172 HydrophobicContact CE-CG1 4.15Å; M160-I172 HydrophobicContact CG-CD1 4.5Å; M160-I172 HydrophobicContact CG-CG1 3.95Å; M160-I172 PolarHBondContact N-O 3.05Å; M160-I172 PolarHBondContact O-N 3.33Å; V162-I172 HydrophobicContact CB-CD1 4.49Å; V162-I172 HydrophobicContact CG1-CD1 3.62Å; V162-I172 HydrophobicContact CG1-CG1 3.86Å; V162-I172 HydrophobicContact CG2-CB 4.39Å; V162-I172 HydrophobicContact CG2-CD1 4.01Å; V162-I172 HydrophobicContact CG2-CG1 3.9Å; V162-I172 HydrophobicContact CG2-CG2 3.67Å; V170-I172 HydrophobicContact CG1-CG2 4.41Å; I172-T174 HydrophobicContact CD1-CG2 4.18Å; I172-T174 HydrophobicContact CG1-CG2 4.32Å |
| 173 | N | 91.5 | Very high | 89.6 | Confident | 93 Ų | 93 | 65.9 Ų | 65.9 | 50% | 0.497 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 131.3 | 172.4 | -68.5 | -19.9 | 0 | 0 | 0 | 110.1 | R124 | R124-N173 PolarHBondContact NH1-O 2.88Å; R124-N173 VanDerWaalsContact NH1-O 3.07Å |
| 174 | T | 90.7 | Very high | 89.6 | Confident | 2 Ų | 2 | 66.9 Ų | 66.9 | 1% | 0.012 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 141 | -179.8 | 55 | 0 | 0 | 0 | 0 | 110.6 | V135 E137 Q157 R158 M160 I172 N176 | V135-T174 HydrophobicContact CG1-CG2 3.65Å; E137-T174 WeakPolarHBondContact OE1-CA 3.01Å; Q157-T174 CarbonylContact C-O 3.5Å; Q157-T174 WeakPolarHBondContact CA-O 3.25Å; R158-T174 PolarHBondContact N-O 3.39Å; R158-T174 PolarHBondContact O-N 2.92Å; R158-T174 PolarHBondContact O-OG1 2.74Å; M160-T174 HydrophobicContact CE-CG2 3.56Å; M160-T174 HydrophobicContact CG-CG2 3.76Å; M160-T174 HydrophobicContact SD-CG2 3.62Å; I172-T174 HydrophobicContact CD1-CG2 4.18Å; I172-T174 HydrophobicContact CG1-CG2 4.32Å; T174-N176 PolarHBondContact O-ND2 2.81Å; T174-N176 PolarHBondContact OG1-ND2 3.05Å |
| 175 | A | 91.8 | Very high | 89.5 | Confident | 7 Ų | 7 | 65.4 Ų | 65.4 | 6% | 0.058 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 120.5 | 171 | 0 | 0 | 0 | 0 | 0 | 109.6 | E137 L138 I139 Q155 | E137-A175 CarbonylContact C-O 3.55Å; E137-A175 WeakPolarHBondContact CA-O 3.36Å; E137-A175 HydrophobicContact CB-CB 4.18Å; E137-A175 VanDerWaalsContact CB-O 3.29Å; E137-A175 WeakPolarHBondContact CB-O 2.97Å; E137-A175 HydrophobicContact CG-CB 4.46Å; L138-A175 PolarHBondContact N-O 2.84Å; L138-A175 CarbonylContact O-C 3.59Å; I139-A175 HydrophobicContact CG2-CB 3.8Å; Q155-A175 HydrophobicContact CG-CB 4.19Å; Q155-A175 VanDerWaalsContact NE2-CB 3.32Å |
| 176 | N | 89.8 | Confident | 89.7 | Confident | 58 Ų | 58 | 62.8 Ų | 62.8 | 31% | 0.31 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | -30.8 | -172.8 | -76.9 | -99.4 | 0 | 0 | 0 | 114.4 | L138 R156 R158 T174 | L138-N176 VanDerWaalsContact CB-O 3.28Å; L138-N176 WeakPolarHBondContact CB-O 2.93Å; R156-N176 PolarHBondContact O-N 3.42Å; R156-N176 VanDerWaalsContact O-N 3.16Å; R158-N176 VanDerWaalsContact CB-ND2 3.28Å; R158-N176 WeakPolarHBondContact CB-ND2 3.26Å; T174-N176 PolarHBondContact O-ND2 2.81Å; T174-N176 PolarHBondContact OG1-ND2 3.05Å |
| 177 | F | 92.2 | Very high | 90.4 | Very high | 76 Ų | 76 | 59.8 Ų | 59.8 | 33% | 0.333 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.8 | 166.9 | 179.4 | 60.8 | -77.4 | 0 | 0 | 0 | 112.4 | L138 Q155 R156 D179 | L138-F177 HydrophobicContact CD2-CB 4.36Å; Q155-F177 PolarHBondContact NE2-O 2.54Å; Q155-F177 VanDerWaalsContact NE2-O 3.12Å; R156-F177 HydrophobicContact CB-CD1 4.27Å; R156-F177 HydrophobicContact CB-CD2 4.32Å; R156-F177 HydrophobicContact CB-CE1 3.95Å; R156-F177 HydrophobicContact CB-CE2 4.07Å; R156-F177 HydrophobicContact CB-CG 4.43Å; R156-F177 HydrophobicContact CB-CZ 3.85Å; R156-F177 VanDerWaalsContact CD-CE2 3.45Å; R156-F177 HydrophobicContact CG-CE2 4.24Å; R156-F177 HydrophobicContact CG-CZ 4.29Å; R156-F177 PolarHBondContact N-O 3.46Å; F177-D179 VanDerWaalsContact CD2-OD1 3.26Å; F177-D179 WeakPolarHBondContact CD2-OD1 3.42Å; F177-D179 VanDerWaalsContact CE2-CG 3.48Å; F177-D179 VanDerWaalsContact CE2-OD1 3.26Å; F177-D179 WeakPolarHBondContact CE2-OD1 3.09Å; F177-D179 VanDerWaalsContact CE2-OD2 3.25Å; F177-D179 WeakPolarHBondContact CE2-OD2 3.48Å |
| 178 | C | 93.5 | Very high | 90.5 | Very high | 18 Ų | 18 | 59.7 Ų | 59.7 | 12% | 0.122 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 118.4 | 179.1 | -63.4 | 0 | 0 | 0 | 0 | 110.3 | C117 V119 I139 C140 | C117-C178 HydrophobicContact CB-CB 4.15Å; V119-C178 HydrophobicContact CG1-CB 3.64Å; I139-C178 VanDerWaalsContact C-SG 3.58Å; C140-C178 WeakPolarHBondContact CA-SG 3.31Å; C140-C178 HydrophobicContact CB-CB 4.14Å; C140-C178 WeakPolarHBondContact CB-SG 3.27Å; C140-C178 PolarHBondContact N-SG 2.94Å; C140-C178 VanDerWaalsContact SG-CA 3.58Å; C140-C178 WeakPolarHBondContact SG-CB 3.37Å; C140-C178 CovalentContact SG-SG 2.03Å; C140-C178 PolarHBondContact SG-SG 2.93Å |
| 179 | D | 93.3 | Very high | 90.3 | Very high | 47 Ų | 47 | 59.1 Ų | 59.1 | 25% | 0.251 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 136.9 | 178.8 | -83.9 | -12.5 | 0 | 0 | 0 | 110.1 | C153 K154 R156 F177 F181 | C153-D179 CarbonylContact C-O 3.56Å; C153-D179 VanDerWaalsContact CA-O 3.26Å; C153-D179 WeakPolarHBondContact CA-O 3.26Å; K154-D179 PolarHBondContact N-O 2.02Å; K154-D179 PolarHBondContact O-N 2.87Å; R156-D179 WeakPolarHBondContact CD-OD2 3.02Å; R156-D179 IonicContact CZ-OD2 3.83Å; R156-D179 IonicContact NE-OD2 3.83Å; R156-D179 IonicContact NH1-OD2 2.97Å; R156-D179 PolarHBondContact NH1-OD2 3.32Å; F177-D179 VanDerWaalsContact CD2-OD1 3.26Å; F177-D179 WeakPolarHBondContact CD2-OD1 3.42Å; F177-D179 VanDerWaalsContact CE2-CG 3.48Å; F177-D179 VanDerWaalsContact CE2-OD1 3.26Å; F177-D179 WeakPolarHBondContact CE2-OD1 3.09Å; F177-D179 VanDerWaalsContact CE2-OD2 3.25Å; F177-D179 WeakPolarHBondContact CE2-OD2 3.48Å; D179-F181 HydrophobicContact CB-CD2 4.06Å; D179-F181 HydrophobicContact CB-CE1 4.4Å; D179-F181 HydrophobicContact CB-CE2 3.34Å; D179-F181 HydrophobicContact CB-CZ 3.55Å; D179-F181 VanDerWaalsContact O-CD2 3.31Å; D179-F181 WeakPolarHBondContact O-CD2 3.47Å |
| 180 | C | 94.3 | Very high | 90.1 | Very high | 35 Ų | 35 | 59.8 Ų | 59.8 | 24% | 0.236 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 114.1 | 166.4 | 177.2 | 0 | 0 | 0 | 0 | 109.7 | L116 C146 | L116-C180 HydrophobicContact CB-CB 4.04Å; L116-C180 HydrophobicContact CD1-CB 4.21Å; C146-C180 HydrophobicContact CB-CB 3.71Å; C146-C180 WeakPolarHBondContact CB-SG 3.32Å; C146-C180 WeakPolarHBondContact SG-CA 3.43Å; C146-C180 WeakPolarHBondContact SG-CB 3.38Å; C146-C180 CovalentContact SG-SG 2.02Å; C146-C180 PolarHBondContact SG-SG 3.44Å |
| 181 | F | 93.5 | Very high | 89.8 | Confident | 83 Ų | 83 | 64.8 Ų | 64.8 | 36% | 0.364 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 133.8 | 177.3 | -66.1 | -86.2 | 0 | 0 | 0 | 111 | G151 T152 K154 D179 | G151-F181 CarbonylContact C-O 3.45Å; G151-F181 WeakPolarHBondContact CA-O 3.26Å; T152-F181 HydrophobicContact CG2-CB 4.28Å; T152-F181 PolarHBondContact N-O 2.84Å; T152-F181 PolarHBondContact O-N 2.96Å; K154-F181 HydrophobicContact CB-CD2 3.86Å; K154-F181 HydrophobicContact CB-CE2 3.75Å; K154-F181 HydrophobicContact CD-CD2 3.97Å; K154-F181 HydrophobicContact CD-CE2 4.33Å; K154-F181 HydrophobicContact CG-CD2 3.99Å; K154-F181 HydrophobicContact CG-CE2 4.36Å; D179-F181 HydrophobicContact CB-CD2 4.06Å; D179-F181 HydrophobicContact CB-CE1 4.4Å; D179-F181 HydrophobicContact CB-CE2 3.34Å; D179-F181 HydrophobicContact CB-CZ 3.55Å; D179-F181 VanDerWaalsContact O-CD2 3.31Å; D179-F181 WeakPolarHBondContact O-CD2 3.47Å |
| 182 | V | 92.3 | Very high | 89.3 | Confident | 34 Ų | 34 | 65.4 Ų | 65.4 | 21% | 0.206 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 138 | 169.1 | 170.9 | 0 | 0 | 0 | 0 | 109.4 | L147 S184 T186 M188 I192 | L147-V182 HydrophobicContact CD1-CG2 3.61Å; V182-S184 PolarHBondContact O-N 3.5Å; V182-T186 WeakPolarHBondContact CG1-OG1 3.49Å; V182-M188 HydrophobicContact CG1-CB 3.65Å; V182-M188 HydrophobicContact CG1-CG 3.94Å; V182-M188 HydrophobicContact CG2-CG 4.06Å; V182-I192 HydrophobicContact CB-CD1 3.39Å; V182-I192 HydrophobicContact CG1-CD1 3.77Å; V182-I192 HydrophobicContact CG2-CD1 3.36Å |
| 183 | Q | 89.9 | Confident | 88.7 | Confident | 150 Ų | 150 | 67.9 Ų | 67.9 | 70% | 0.701 | 39% | 0.387 | S | S | * | . | trans | -72 | 130.2 | 179.9 | -177.6 | 176.1 | 6 | 0 | 0 | 110.4 | T186 | Q183-T186 HydrophobicContact CB-CG2 3.77Å; Q183-T186 HydrophobicContact CG-CG2 4.21Å; Q183-T186 WeakPolarHBondContact O-CB 3.33Å; Q183-T186 WeakPolarHBondContact O-CG2 3.44Å; Q183-T186 PolarHBondContact O-N 3.43Å; Q183-T186 PolarHBondContact O-OG1 2.97Å | ||
| 184 | S | 90 | Very high | 87.2 | Confident | 90 Ų | 90 | 70.1 Ų | 70.1 | 63% | 0.629 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | 143.3 | 174.3 | -171.4 | 0 | 0 | 0 | 0 | 110.8 | V182 T186 | V182-S184 PolarHBondContact O-N 3.5Å; S184-T186 VanDerWaalsContact C-N 3.27Å; S184-T186 PolarHBondContact O-N 3.31Å |
| 185 | G | 87.8 | Confident | 87 | Confident | 69 Ų | 69 | 73.6 Ų | 73.6 | 71% | 0.711 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.2 | -4.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | H189 | G185-H189 PolarHBondContact N-ND1 3.32Š|
| 186 | T | 87.1 | Confident | 86.8 | Confident | 36 Ų | 36 | 77.1 Ų | 77.1 | 22% | 0.221 | 46% | 0.459 | C | S | . | . | S | Bend | trans | -76.1 | 162.5 | 168.8 | 63.9 | 0 | 0 | 0 | 0 | 111.2 | V182 Q183 S184 M188 H189 | V182-T186 WeakPolarHBondContact CG1-OG1 3.49Å; Q183-T186 HydrophobicContact CB-CG2 3.77Å; Q183-T186 HydrophobicContact CG-CG2 4.21Å; Q183-T186 WeakPolarHBondContact O-CB 3.33Å; Q183-T186 WeakPolarHBondContact O-CG2 3.44Å; Q183-T186 PolarHBondContact O-N 3.43Å; Q183-T186 PolarHBondContact O-OG1 2.97Å; S184-T186 VanDerWaalsContact C-N 3.27Å; S184-T186 PolarHBondContact O-N 3.31Å; T186-M188 PolarHBondContact O-N 2.74Å; T186-M188 VanDerWaalsContact O-N 3.16Å; T186-H189 WeakPolarHBondContact O-CB 3.13Å; T186-H189 PolarHBondContact O-N 3.33Å |
| 187 | V | 85.4 | Confident | 86.6 | Confident | 96 Ų | 96 | 78.1 Ų | 78.1 | 58% | 0.582 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -33.1 | 172.2 | -179.6 | 0 | 0 | 0 | 0 | 111.2 | W150 H189 T190 F191 | W150-V187 HydrophobicContact CZ3-CB 4.4Å; V187-H189 VanDerWaalsContact C-N 3.26Å; V187-H189 PolarHBondContact O-N 3.5Å; V187-T190 PolarHBondContact O-N 3.34Å; V187-T190 PolarHBondContact O-OG1 3.16Å; V187-F191 HydrophobicContact CG1-CE2 4.19Å; V187-F191 WeakPolarHBondContact O-CD2 3.39Å |
| 188 | M | 84.4 | Confident | 86.3 | Confident | 44 Ų | 44 | 78.2 Ų | 78.2 | 22% | 0.217 | 48% | 0.475 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -20.3 | 179.8 | -161.8 | 65.6 | -174.5 | 0 | 0 | 113.2 | L147 W150 V182 T186 T190 F191 I192 | L147-M188 HydrophobicContact CD1-CE 4.01Å; L147-M188 HydrophobicContact CD1-CG 4.48Å; L147-M188 HydrophobicContact CD2-CE 4.37Å; W150-M188 HydrophobicContact CB-CB 4.29Å; W150-M188 HydrophobicContact CB-CG 4.21Å; W150-M188 HydrophobicContact CE3-CB 4.31Å; V182-M188 HydrophobicContact CG1-CB 3.65Å; V182-M188 HydrophobicContact CG1-CG 3.94Å; V182-M188 HydrophobicContact CG2-CG 4.06Å; T186-M188 PolarHBondContact O-N 2.74Å; T186-M188 VanDerWaalsContact O-N 3.16Å; M188-T190 VanDerWaalsContact C-N 3.26Å; M188-T190 PolarHBondContact O-N 3.5Å; M188-F191 HydrophobicContact CE-CB 4.3Å; M188-F191 PolarHBondContact O-N 2.87Å; M188-F191 VanDerWaalsContact O-N 3.12Å; M188-F191 HydrophobicContact SD-CB 4.22Å; M188-F191 HydrophobicContact SD-CD2 4.12Å; M188-F191 HydrophobicContact SD-CG 4.46Å; M188-I192 HydrophobicContact CG-CD1 4.26Å; M188-I192 PolarHBondContact O-N 3.12Å |
| 189 | H | 85 | Confident | 85.9 | Confident | 76 Ų | 76 | 82 Ų | 82 | 35% | 0.352 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.3 | -38.1 | 176 | -177.9 | -143.1 | 0 | 0 | 0 | 112.1 | G185 T186 V187 F191 I192 A193 | G185-H189 PolarHBondContact N-ND1 3.32Å; T186-H189 WeakPolarHBondContact O-CB 3.13Å; T186-H189 PolarHBondContact O-N 3.33Å; V187-H189 VanDerWaalsContact C-N 3.26Å; V187-H189 PolarHBondContact O-N 3.5Å; H189-F191 PolarHBondContact O-N 3.45Å; H189-I192 PolarHBondContact O-N 3.13Å; H189-A193 PolarHBondContact O-N 3.25Å; H189-A193 VanDerWaalsContact O-N 3.13Å |
| 190 | T | 86.2 | Confident | 85.4 | Confident | 93 Ų | 93 | 84.3 Ų | 84.3 | 57% | 0.571 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -69.9 | -20.9 | 179.8 | 59.5 | 0 | 0 | 0 | 0 | 113.1 | V187 M188 A194 | V187-T190 PolarHBondContact O-N 3.34Å; V187-T190 PolarHBondContact O-OG1 3.16Å; M188-T190 VanDerWaalsContact C-N 3.26Å; M188-T190 PolarHBondContact O-N 3.5Å; T190-A194 WeakPolarHBondContact O-CB 3.43Å |
| 191 | F | 84.5 | Confident | 84.7 | Confident | 146 Ų | 146 | 87.9 Ų | 87.9 | 64% | 0.64 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -88.1 | -9.2 | 177.3 | -67.6 | -79.6 | 0 | 0 | 0 | 113.4 | V187 M188 H189 | V187-F191 HydrophobicContact CG1-CE2 4.19Å; V187-F191 WeakPolarHBondContact O-CD2 3.39Å; M188-F191 HydrophobicContact CE-CB 4.3Å; M188-F191 PolarHBondContact O-N 2.87Å; M188-F191 VanDerWaalsContact O-N 3.12Å; M188-F191 HydrophobicContact SD-CB 4.22Å; M188-F191 HydrophobicContact SD-CD2 4.12Å; M188-F191 HydrophobicContact SD-CG 4.46Å; H189-F191 PolarHBondContact O-N 3.45Å |
| 192 | I | 82.4 | Confident | 84 | Confident | 98 Ų | 98 | 88.2 Ų | 88.2 | 50% | 0.503 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -107.1 | -38.2 | -177.3 | -65.4 | 169.8 | 0 | 0 | 0 | 111.5 | V182 M188 H189 | V182-I192 HydrophobicContact CB-CD1 3.39Å; V182-I192 HydrophobicContact CG1-CD1 3.77Å; V182-I192 HydrophobicContact CG2-CD1 3.36Å; M188-I192 HydrophobicContact CG-CD1 4.26Å; M188-I192 PolarHBondContact O-N 3.12Å; H189-I192 PolarHBondContact O-N 3.13Å |
| 193 | A | 77 | Confident | 83.4 | Confident | 74 Ų | 74 | 92.8 Ų | 92.8 | 61% | 0.612 | 58% | 0.575 | S | S | * | * | trans | -94 | 5.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | H189 | H189-A193 PolarHBondContact O-N 3.25Å; H189-A193 VanDerWaalsContact O-N 3.13Å | ||
| 194 | A | 60.5 | Low | 82.8 | Confident | 141 Ų | 141 | 87.5 Ų | 87.5 | 100% | 1.165 | 56% | 0.564 | S | S | * | * | trans | -71.4 | 0 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | T190 | T190-A194 WeakPolarHBondContact O-CB 3.43Š|
Retrieved 194 of 194 residues in 34.9 ms
(Link to these results)