| 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 | F | 36.6 | Very low | 37.1 | Very low | 147 Ų | 147 | 62.1 Ų | 62.1 | 65% | 0.645 | 31% | 0.306 | S | S | * | . | 0 | -54.8 | 0 | -93.2 | -91.8 | 0 | 0 | 0 | 114.7 | I3 F4 M5 | F1-I3 VanDerWaalsContact C-N 3.33Å; F1-I3 PolarHBondContact O-N 3.14Å; F1-F4 CarbonylContact O-C 3.59Å; F1-F4 PolarHBondContact O-N 3.46Å; F1-F4 VanDerWaalsContact O-N 3.14Å; F1-M5 PolarHBondContact O-N 2.95Å | |||
| 2 | K | 30.5 | Very low | 37 | Very low | 64 Ų | 64 | 64.8 Ų | 64.8 | 28% | 0.278 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.7 | -36.7 | 176.8 | -60.8 | 175 | 172.9 | 177.7 | 0 | 113.5 | M5 C6 E105 Y124 G234 I236 | K2-M5 PolarHBondContact O-N 2.82Å; K2-C6 PolarHBondContact O-N 3.41Å; K2-E105 WeakPolarHBondContact CE-OE1 3.32Å; K2-E105 IonicContact NZ-OE1 2.68Å; K2-E105 PolarHBondContact NZ-OE1 3.28Å; K2-E105 IonicContact NZ-OE2 2.73Å; K2-E105 PolarHBondContact NZ-OE2 3.46Å; K2-Y124 WeakPolarHBondContact CD-OH 3.28Å; K2-Y124 WeakPolarHBondContact CE-OH 3.37Å; K2-G234 WeakPolarHBondContact CE-O 3.01Å; K2-G234 PolarHBondContact NZ-O 3.33Å; K2-I236 HydrophobicContact CB-CD1 3.68Å; K2-I236 HydrophobicContact CG-CD1 4.4Å |
| 3 | I | 35.3 | Very low | 37.2 | Very low | 36 Ų | 36 | 65.5 Ų | 65.5 | 19% | 0.185 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66.3 | -46 | 171.5 | -70.4 | 171.4 | 0 | 0 | 0 | 110.7 | F1 M5 C6 F7 I178 A229 I236 | F1-I3 VanDerWaalsContact C-N 3.33Å; F1-I3 PolarHBondContact O-N 3.14Å; I3-M5 VanDerWaalsContact C-N 3.27Å; I3-M5 PolarHBondContact O-N 3.27Å; I3-C6 WeakPolarHBondContact O-CB 3.32Å; I3-C6 PolarHBondContact O-N 2.98Å; I3-C6 VanDerWaalsContact O-N 3.13Å; I3-F7 HydrophobicContact CG2-CD2 3.57Å; I3-F7 HydrophobicContact CG2-CE2 3.48Å; I3-F7 VanDerWaalsContact CG2-CE2 3.48Å; I3-F7 VanDerWaalsContact O-CD2 3.23Å; I3-F7 WeakPolarHBondContact O-CD2 3.46Å; I3-F7 PolarHBondContact O-N 3Å; I3-I178 HydrophobicContact CD1-CD1 3.64Å; I3-I178 HydrophobicContact CG2-CD1 4.15Å; I3-A229 HydrophobicContact CD1-CB 3.83Å; I3-I236 HydrophobicContact CB-CD1 4.46Å; I3-I236 HydrophobicContact CD1-CD1 3.99Å; I3-I236 HydrophobicContact CD1-CG2 3.8Å; I3-I236 HydrophobicContact CG1-CD1 3.82Å |
| 4 | F | 36.5 | Very low | 37.2 | Very low | 100 Ų | 100 | 69.1 Ų | 69.1 | 44% | 0.439 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.9 | -30.7 | 178.1 | -148.4 | -106.2 | 0 | 0 | 0 | 112.9 | F1 F7 I8 L189 | F1-F4 CarbonylContact O-C 3.59Å; F1-F4 PolarHBondContact O-N 3.46Å; F1-F4 VanDerWaalsContact O-N 3.14Å; F4-F7 PolarHBondContact O-N 3.33Å; F4-I8 HydrophobicContact CD1-CD1 3.39Å; F4-I8 HydrophobicContact CD1-CG1 3.92Å; F4-I8 HydrophobicContact CE1-CD1 3.55Å; F4-I8 HydrophobicContact CE1-CG1 3.98Å; F4-I8 HydrophobicContact CG-CD1 4.5Å; F4-I8 WeakPolarHBondContact O-CB 3.32Å; F4-I8 WeakPolarHBondContact O-CG1 3.38Å; F4-I8 PolarHBondContact O-N 2.81Å; F4-L189 HydrophobicContact CD2-CD2 3.86Å; F4-L189 HydrophobicContact CE2-CD2 3.84Å |
| 5 | M | 36.9 | Very low | 37.2 | Very low | 10 Ų | 10 | 72.1 Ų | 72.1 | 5% | 0.049 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -65.1 | -44.6 | 171.5 | -84.6 | -110 | 102.6 | 0 | 0 | 112.5 | F1 K2 I3 F7 I8 S9 Q55 S56 A57 | F1-M5 PolarHBondContact O-N 2.95Å; K2-M5 PolarHBondContact O-N 2.82Å; I3-M5 VanDerWaalsContact C-N 3.27Å; I3-M5 PolarHBondContact O-N 3.27Å; M5-F7 VanDerWaalsContact C-N 3.3Å; M5-F7 PolarHBondContact O-N 3.06Å; M5-I8 PolarHBondContact O-N 2.91Å; M5-S9 WeakPolarHBondContact O-CB 3.41Å; M5-S9 PolarHBondContact O-N 2.99Å; M5-S9 PolarHBondContact O-OG 3.48Å; M5-Q55 HydrophobicContact CE-CG 3.63Å; M5-Q55 HydrophobicContact SD-CG 4.29Å; M5-S56 VanDerWaalsContact CE-O 3.24Å; M5-S56 WeakPolarHBondContact CE-O 2.97Å; M5-A57 HydrophobicContact CG-CB 4.22Å; M5-A57 WeakPolarHBondContact SD-CA 3.4Å; M5-A57 HydrophobicContact SD-CB 4.37Å |
| 6 | C | 38.7 | Very low | 36.9 | Very low | 51 Ų | 51 | 74.8 Ų | 74.8 | 35% | 0.345 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -59.8 | -42.7 | 169.8 | -80 | 0 | 0 | 0 | 0 | 110.8 | K2 I3 S9 I10 | K2-C6 PolarHBondContact O-N 3.41Å; I3-C6 WeakPolarHBondContact O-CB 3.32Å; I3-C6 PolarHBondContact O-N 2.98Å; I3-C6 VanDerWaalsContact O-N 3.13Å; C6-S9 PolarHBondContact O-OG 2.84Å; C6-I10 VanDerWaalsContact O-CB 3.31Å; C6-I10 WeakPolarHBondContact O-CB 3.42Å; C6-I10 WeakPolarHBondContact O-CD1 3.38Å; C6-I10 WeakPolarHBondContact O-CG1 3.09Å; C6-I10 PolarHBondContact O-N 3.39Å |
| 7 | F | 39 | Very low | 36.7 | Very low | 29 Ų | 29 | 81.8 Ų | 81.8 | 13% | 0.127 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -65.4 | -40.4 | 179.1 | -86.8 | -81.4 | 0 | 0 | 0 | 113.6 | I3 F4 M5 I10 L11 P187 L189 | I3-F7 HydrophobicContact CG2-CD2 3.57Å; I3-F7 HydrophobicContact CG2-CE2 3.48Å; I3-F7 VanDerWaalsContact CG2-CE2 3.48Å; I3-F7 VanDerWaalsContact O-CD2 3.23Å; I3-F7 WeakPolarHBondContact O-CD2 3.46Å; I3-F7 PolarHBondContact O-N 3Å; F4-F7 PolarHBondContact O-N 3.33Å; M5-F7 VanDerWaalsContact C-N 3.3Å; M5-F7 PolarHBondContact O-N 3.06Å; F7-I10 PolarHBondContact O-N 3.07Å; F7-L11 WeakPolarHBondContact O-CB 3.46Å; F7-L11 WeakPolarHBondContact O-CG 3.04Å; F7-L11 PolarHBondContact O-N 2.91Å; F7-P187 WeakPolarHBondContact CE1-O 3.39Å; F7-P187 HydrophobicContact CE2-CG 4.36Å; F7-P187 HydrophobicContact CZ-CB 4.3Å; F7-P187 HydrophobicContact CZ-CG 3.94Å; F7-P187 WeakPolarHBondContact CZ-O 3.39Å; F7-L189 HydrophobicContact CE1-CB 4.25Å; F7-L189 HydrophobicContact CE2-CB 4.25Å; F7-L189 HydrophobicContact CZ-CB 4Å |
| 8 | I | 39.5 | Very low | 36.7 | Very low | 68 Ų | 68 | 82.8 Ų | 82.8 | 35% | 0.349 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -71.5 | -39.8 | 177.4 | -69.8 | 169.4 | 0 | 0 | 0 | 111.1 | F4 M5 I10 L11 C12 | F4-I8 HydrophobicContact CD1-CD1 3.39Å; F4-I8 HydrophobicContact CD1-CG1 3.92Å; F4-I8 HydrophobicContact CE1-CD1 3.55Å; F4-I8 HydrophobicContact CE1-CG1 3.98Å; F4-I8 HydrophobicContact CG-CD1 4.5Å; F4-I8 WeakPolarHBondContact O-CB 3.32Å; F4-I8 WeakPolarHBondContact O-CG1 3.38Å; F4-I8 PolarHBondContact O-N 2.81Å; M5-I8 PolarHBondContact O-N 2.91Å; I8-I10 VanDerWaalsContact C-N 3.29Å; I8-I10 PolarHBondContact O-N 2.91Å; I8-L11 PolarHBondContact O-N 3.3Å; I8-C12 PolarHBondContact O-N 3.07Å |
| 9 | S | 40.6 | Very low | 36.8 | Very low | 12 Ų | 12 | 88.9 Ų | 88.9 | 8% | 0.084 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -61.6 | -43.1 | 174.2 | 70.2 | 0 | 0 | 0 | 0 | 110.3 | M5 C6 L11 C12 D13 | M5-S9 WeakPolarHBondContact O-CB 3.41Å; M5-S9 PolarHBondContact O-N 2.99Å; M5-S9 PolarHBondContact O-OG 3.48Å; C6-S9 PolarHBondContact O-OG 2.84Å; S9-L11 PolarHBondContact O-N 2.02Å; S9-C12 PolarHBondContact O-N 3.38Å; S9-D13 VanDerWaalsContact O-CG 3.23Å; S9-D13 PolarHBondContact O-N 2.05Å; S9-D13 VanDerWaalsContact O-OD2 3.06Å |
| 10 | I | 39.4 | Very low | 37.2 | Very low | 51 Ų | 51 | 90.7 Ų | 90.7 | 26% | 0.262 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.1 | -38.1 | 175.9 | -67 | 162.7 | 0 | 0 | 0 | 111.9 | C6 F7 I8 D13 L14 | C6-I10 VanDerWaalsContact O-CB 3.31Å; C6-I10 WeakPolarHBondContact O-CB 3.42Å; C6-I10 WeakPolarHBondContact O-CD1 3.38Å; C6-I10 WeakPolarHBondContact O-CG1 3.09Å; C6-I10 PolarHBondContact O-N 3.39Å; F7-I10 PolarHBondContact O-N 3.07Å; I8-I10 VanDerWaalsContact C-N 3.29Å; I8-I10 PolarHBondContact O-N 2.91Å; I10-D13 PolarHBondContact O-N 3.1Å; I10-L14 WeakPolarHBondContact O-CD1 2.99Å; I10-L14 PolarHBondContact O-N 3.23Å |
| 11 | L | 35.3 | Very low | 37.8 | Very low | 115 Ų | 115 | 95.7 Ų | 95.7 | 60% | 0.602 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -67.4 | -32.6 | 175.7 | -85.7 | 158.2 | 0 | 0 | 0 | 113.1 | F7 I8 S9 | F7-L11 WeakPolarHBondContact O-CB 3.46Å; F7-L11 WeakPolarHBondContact O-CG 3.04Å; F7-L11 PolarHBondContact O-N 2.91Å; I8-L11 PolarHBondContact O-N 3.3Å; S9-L11 PolarHBondContact O-N 2.02Å |
| 12 | C | 36.2 | Very low | 38.5 | Very low | 94 Ų | 94 | 97.3 Ų | 97.3 | 64% | 0.635 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -72.8 | -30.3 | 172 | -114.8 | 0 | 0 | 0 | 0 | 112.2 | I8 S9 L14 C15 | I8-C12 PolarHBondContact O-N 3.07Å; S9-C12 PolarHBondContact O-N 3.38Å; C12-L14 VanDerWaalsContact C-N 3.33Å; C12-L14 PolarHBondContact O-N 2.82Å; C12-C15 PolarHBondContact O-N 2.84Å |
| 13 | D | 39.6 | Very low | 40.1 | Very low | 74 Ų | 74 | 96.7 Ų | 96.7 | 40% | 0.396 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -76.9 | -13.8 | 179 | -68.2 | -35.6 | 0 | 0 | 0 | 113.4 | S9 I10 C15 L16 | S9-D13 VanDerWaalsContact O-CG 3.23Å; S9-D13 PolarHBondContact O-N 2.05Å; S9-D13 VanDerWaalsContact O-OD2 3.06Å; I10-D13 PolarHBondContact O-N 3.1Å; D13-C15 PolarHBondContact O-N 3.14Å; D13-L16 PolarHBondContact O-N 2.73Å |
| 14 | L | 37.2 | Very low | 42 | Very low | 117 Ų | 117 | 100.6 Ų | 100.6 | 61% | 0.613 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -19.9 | 169.8 | -101.4 | 99.8 | 0 | 0 | 0 | 113.1 | I10 C12 | I10-L14 WeakPolarHBondContact O-CD1 2.99Å; I10-L14 PolarHBondContact O-N 3.23Å; C12-L14 VanDerWaalsContact C-N 3.33Å; C12-L14 PolarHBondContact O-N 2.82Å |
| 15 | C | 36.6 | Very low | 44.2 | Very low | 113 Ų | 113 | 99.9 Ų | 99.9 | 76% | 0.764 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -12.7 | 178.1 | -74 | 0 | 0 | 0 | 0 | 114 | C12 D13 | C12-C15 PolarHBondContact O-N 2.84Å; D13-C15 PolarHBondContact O-N 3.14Å |
| 16 | L | 32.8 | Very low | 46.5 | Very low | 115 Ų | 115 | 100.4 Ų | 100.4 | 60% | 0.602 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -129.7 | 100.6 | -174 | -71.2 | 162.3 | 0 | 0 | 0 | 110 | D13 Q18 | D13-L16 PolarHBondContact O-N 2.73Å; L16-Q18 VanDerWaalsContact C-N 3.34Å; L16-Q18 PolarHBondContact O-N 2.74Å |
| 17 | H | 33.3 | Very low | 48.8 | Very low | 195 Ų | 195 | 106.3 Ų | 106.3 | 90% | 0.903 | 53% | 0.534 | S | S | * | . | trans | -55.3 | 76.9 | -179.8 | -85.3 | 59.9 | 0 | 0 | 0 | 114.5 | ||||
| 18 | Q | 37.4 | Very low | 51.3 | Low | 100 Ų | 100 | 105.4 Ų | 105.4 | 47% | 0.467 | 53% | 0.531 | S | S | . | . | trans | -134.2 | 137.6 | 169.6 | -71 | -170.7 | -2.3 | 0 | 0 | 112.7 | L16 I20 T118 | L16-Q18 VanDerWaalsContact C-N 3.34Å; L16-Q18 PolarHBondContact O-N 2.74Å; Q18-I20 PolarHBondContact O-N 2.84Å; Q18-T118 PolarHBondContact NE2-O 2.8Å | ||
| 19 | H | 37.4 | Very low | 53.7 | Low | 198 Ų | 198 | 107 Ų | 107 | 92% | 0.917 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -51.9 | 123 | 179.6 | -82.5 | -95.8 | 0 | 0 | 0 | 111.9 | K21 | H19-K21 PolarHBondContact O-N 2.78Š|
| 20 | I | 44.7 | Very low | 56.1 | Low | 124 Ų | 124 | 109.7 Ų | 109.7 | 64% | 0.636 | 55% | 0.55 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 120 | -171.7 | -59.1 | 167.2 | 0 | 0 | 0 | 110.7 | Q18 | Q18-I20 PolarHBondContact O-N 2.84Š|
| 21 | K | 50 | Low | 58.6 | Low | 196 Ų | 196 | 108.8 Ų | 108.8 | 85% | 0.852 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -102.6 | 129.8 | 157.6 | -72.1 | -173 | -179.6 | -178.9 | 0 | 108.4 | H19 | H19-K21 PolarHBondContact O-N 2.78Š|
| 22 | Q | 51.3 | Low | 61.5 | Low | 182 Ų | 182 | 108.1 Ų | 108.1 | 85% | 0.85 | 55% | 0.547 | S | S | * | . | P | Polyproline II helix | trans | -57.4 | 131.5 | 177 | -166.4 | 171.1 | 14.1 | 0 | 0 | 109.8 | Q24 | Q22-Q24 PolarHBondContact O-N 2.91Š|
| 23 | P | 64.7 | Low | 64.4 | Low | 50 Ų | 50 | 107.5 Ų | 107.5 | 33% | 0.325 | 54% | 0.542 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 136.6 | -176.6 | 22.5 | -30.8 | 0 | 0 | 0 | 110.6 | V25 M107 G122 | P23-V25 PolarHBondContact O-N 2.91Å; P23-M107 HydrophobicContact CB-CE 3.89Å; P23-M107 HydrophobicContact CG-CE 4.11Å; P23-G122 WeakPolarHBondContact CA-O 3.42Å; P23-G122 VanDerWaalsContact CB-O 3.26Å; P23-G122 WeakPolarHBondContact CB-O 3.45Å |
| 24 | Q | 75.9 | Confident | 67 | Low | 119 Ų | 119 | 104.6 Ų | 104.6 | 56% | 0.556 | 53% | 0.527 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 135.5 | 178.5 | -178.5 | -176.9 | -14.5 | 0 | 0 | 110.1 | Q22 I26 A123 Y124 | Q22-Q24 PolarHBondContact O-N 2.91Å; Q24-I26 HydrophobicContact CG-CG1 4.22Å; Q24-A123 HydrophobicContact CB-CB 4.28Å; Q24-A123 CarbonylContact O-C 3.43Å; Q24-A123 WeakPolarHBondContact O-CA 3.35Å; Q24-A123 WeakPolarHBondContact O-CB 3.49Å; Q24-Y124 PolarHBondContact O-N 2.89Å |
| 25 | V | 81.9 | Confident | 69.8 | Low | 85 Ų | 85 | 102 Ų | 102 | 52% | 0.515 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 118.1 | 173.9 | -179.4 | 0 | 0 | 0 | 0 | 109.6 | P23 R27 Y124 | P23-V25 PolarHBondContact O-N 2.91Å; V25-R27 HydrophobicContact CG1-CG 4.34Å; V25-Y124 WeakPolarHBondContact CA-O 3.34Å; V25-Y124 HydrophobicContact CG1-CD1 4.46Å |
| 26 | I | 85.2 | Confident | 72.6 | Confident | 21 Ų | 21 | 96.8 Ų | 96.8 | 11% | 0.108 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 126 | 178.7 | -58.1 | 170.3 | 0 | 0 | 0 | 107.9 | Q24 V34 V36 A123 Y124 L125 S126 | Q24-I26 HydrophobicContact CG-CG1 4.22Å; I26-V34 HydrophobicContact CG2-CG2 3.5Å; I26-V36 HydrophobicContact CD1-CB 4.15Å; I26-V36 HydrophobicContact CD1-CG1 3.95Å; I26-V36 HydrophobicContact CD1-CG2 3.95Å; I26-A123 HydrophobicContact CD1-CB 4.02Å; I26-Y124 PolarHBondContact N-O 3.13Å; I26-L125 HydrophobicContact CB-CD1 4.09Å; I26-L125 HydrophobicContact CG2-CD1 3.9Å; I26-S126 PolarHBondContact O-N 2.95Å |
| 27 | R | 87.4 | Confident | 75.4 | Confident | 175 Ų | 175 | 94 Ų | 94 | 66% | 0.66 | 47% | 0.468 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 123.3 | -178.7 | -62.6 | -178.6 | -178.9 | 161.5 | -0.5 | 110.7 | V25 S126 K128 | V25-R27 HydrophobicContact CG1-CG 4.34Å; R27-S126 VanDerWaalsContact CA-O 3.31Å; R27-S126 WeakPolarHBondContact CA-O 3.46Å; R27-K128 HydrophobicContact CB-CD 4.29Å; R27-K128 HydrophobicContact CB-CG 4.14Å |
| 28 | V | 91 | Very high | 78 | Confident | 10 Ų | 10 | 84.9 Ų | 84.9 | 6% | 0.061 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 145.9 | -178.9 | 68.5 | 0 | 0 | 0 | 0 | 111.3 | Q32 V34 A100 L125 S126 L127 K128 | V28-Q32 HydrophobicContact CG2-CB 3.89Å; V28-V34 HydrophobicContact CB-CB 3.93Å; V28-V34 HydrophobicContact CB-CG1 4.24Å; V28-V34 HydrophobicContact CB-CG2 4.15Å; V28-V34 HydrophobicContact CG1-CB 4.31Å; V28-V34 HydrophobicContact CG1-CG1 4.07Å; V28-V34 HydrophobicContact CG2-CB 3.71Å; V28-V34 HydrophobicContact CG2-CG1 4.12Å; V28-V34 HydrophobicContact CG2-CG2 4.41Å; V28-A100 HydrophobicContact CG1-CB 3.85Å; V28-A100 HydrophobicContact CG2-CB 4.14Å; V28-L125 HydrophobicContact CB-CD1 4.39Å; V28-L125 HydrophobicContact CG1-CD1 3.79Å; V28-L125 HydrophobicContact CG1-CD2 4.46Å; V28-L125 HydrophobicContact CG1-CG 4.25Å; V28-S126 PolarHBondContact N-O 3.34Å; V28-L127 HydrophobicContact CG1-CD2 3.63Å; V28-L127 CarbonylContact O-C 3.51Å; V28-L127 WeakPolarHBondContact O-CA 3.29Å; V28-K128 PolarHBondContact O-N 2.85Å |
| 29 | Q | 90.6 | Very high | 80.2 | Confident | 101 Ų | 101 | 85.3 Ų | 85.3 | 47% | 0.472 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 151.5 | 170.8 | -72 | 177.8 | -22.5 | 0 | 0 | 111.4 | G31 Q32 K128 | Q29-G31 PolarHBondContact O-N 3.02Å; Q29-Q32 HydrophobicContact CB-CG 3.98Å; Q29-Q32 WeakPolarHBondContact O-CB 3.33Å; Q29-Q32 PolarHBondContact O-N 3.39Å; Q29-Q32 VanDerWaalsContact O-N 3.14Å; Q29-K128 HydrophobicContact CG-CB 4.05Å; Q29-K128 HydrophobicContact CG-CD 4.46Å |
| 30 | L | 91 | Very high | 82.1 | Confident | 69 Ų | 69 | 76.7 Ų | 76.7 | 36% | 0.361 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | 137 | 174.9 | -72.6 | 171.5 | 0 | 0 | 0 | 111.5 | Q32 T102 L127 | L30-Q32 PolarHBondContact O-N 3.21Å; L30-T102 HydrophobicContact CD2-CG2 4.02Å; L30-L127 HydrophobicContact CD2-CD1 4.06Å; L30-L127 HydrophobicContact CD2-CD2 4.32Å |
| 31 | G | 91.9 | Very high | 83.3 | Confident | 31 Ų | 31 | 73.8 Ų | 73.8 | 32% | 0.32 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79 | -10 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q29 A100 | Q29-G31 PolarHBondContact O-N 3.02Å; G31-A100 PolarHBondContact N-O 3.32Å |
| 32 | Q | 94.9 | Very high | 83.7 | Confident | 102 Ų | 102 | 72.3 Ų | 72.3 | 48% | 0.477 | 38% | 0.383 | S | S | . | . | trans | -83.9 | 148.9 | 177.3 | -64.7 | -61.5 | -44.6 | 0 | 0 | 111.2 | V28 Q29 L30 A100 | V28-Q32 HydrophobicContact CG2-CB 3.89Å; Q29-Q32 HydrophobicContact CB-CG 3.98Å; Q29-Q32 WeakPolarHBondContact O-CB 3.33Å; Q29-Q32 PolarHBondContact O-N 3.39Å; Q29-Q32 VanDerWaalsContact O-N 3.14Å; L30-Q32 PolarHBondContact O-N 3.21Å; Q32-A100 VanDerWaalsContact O-CB 3.24Å; Q32-A100 WeakPolarHBondContact O-CB 3.43Å; Q32-A100 PolarHBondContact O-N 2.73Å | ||
| 33 | P | 96.8 | Very high | 83.9 | Confident | 80 Ų | 80 | 67.2 Ų | 67.2 | 52% | 0.519 | 37% | 0.372 | S | S | . | . | trans | -70 | 149.7 | 169.5 | 29.4 | -33.4 | 0 | 0 | 0 | 110.7 | I97 | P33-I97 CarbonylContact C-O 3.56Å; P33-I97 WeakPolarHBondContact CA-O 3.45Å | ||
| 34 | V | 95.9 | Very high | 83.6 | Confident | 14 Ų | 14 | 65.3 Ų | 65.3 | 9% | 0.085 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 142.6 | 174.6 | 57.2 | 0 | 0 | 0 | 0 | 110.9 | I26 V28 T96 I97 L125 | I26-V34 HydrophobicContact CG2-CG2 3.5Å; V28-V34 HydrophobicContact CB-CB 3.93Å; V28-V34 HydrophobicContact CB-CG1 4.24Å; V28-V34 HydrophobicContact CB-CG2 4.15Å; V28-V34 HydrophobicContact CG1-CB 4.31Å; V28-V34 HydrophobicContact CG1-CG1 4.07Å; V28-V34 HydrophobicContact CG2-CB 3.71Å; V28-V34 HydrophobicContact CG2-CG1 4.12Å; V28-V34 HydrophobicContact CG2-CG2 4.41Å; V34-T96 CarbonylContact O-C 3.54Å; V34-T96 VanDerWaalsContact O-CA 3.29Å; V34-T96 WeakPolarHBondContact O-CA 3Å; V34-I97 HydrophobicContact CG1-CB 3.87Å; V34-I97 HydrophobicContact CG1-CD1 3.96Å; V34-I97 HydrophobicContact CG1-CG1 4.29Å; V34-I97 PolarHBondContact N-O 3.14Å; V34-I97 PolarHBondContact O-N 2.99Å; V34-L125 HydrophobicContact CB-CD1 4.36Å; V34-L125 HydrophobicContact CG1-CD1 3.9Å; V34-L125 HydrophobicContact CG1-CD2 4.04Å; V34-L125 HydrophobicContact CG2-CD1 3.68Å |
| 35 | T | 96.3 | Very high | 82.6 | Confident | 62 Ų | 62 | 66.2 Ų | 66.2 | 38% | 0.38 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 130 | 178 | -57 | 0 | 0 | 0 | 0 | 110 | N94 L95 T96 | T35-N94 HydrophobicContact CG2-CB 3.73Å; T35-L95 CarbonylContact C-O 3.58Å; T35-L95 WeakPolarHBondContact CA-O 3.33Å; T35-T96 PolarHBondContact OG1-OG1 3.41Å |
| 36 | V | 94.3 | Very high | 81.4 | Confident | 3 Ų | 3 | 66 Ų | 66 | 2% | 0.018 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 123.2 | 170.6 | -172.5 | 0 | 0 | 0 | 0 | 107.9 | I26 W52 N94 L95 Y108 A123 | I26-V36 HydrophobicContact CD1-CB 4.15Å; I26-V36 HydrophobicContact CD1-CG1 3.95Å; I26-V36 HydrophobicContact CD1-CG2 3.95Å; V36-W52 HydrophobicContact CB-CH2 4.16Å; V36-W52 HydrophobicContact CB-CZ3 4.26Å; V36-W52 HydrophobicContact CG1-CH2 3.81Å; V36-W52 HydrophobicContact CG1-CZ3 3.81Å; V36-N94 WeakPolarHBondContact O-CA 3.49Å; V36-L95 PolarHBondContact N-O 2.86Å; V36-L95 PolarHBondContact O-N 3.37Å; V36-Y108 HydrophobicContact CG2-CG 4.48Å; V36-A123 HydrophobicContact CG1-CB 3.67Å |
| 37 | T | 91.8 | Very high | 80.4 | Confident | 56 Ų | 56 | 68.2 Ų | 68.2 | 34% | 0.344 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 134.2 | -175.6 | -61 | 0 | 0 | 0 | 0 | 111 | V39 M92 N94 | T37-V39 HydrophobicContact CG2-CG2 4.31Å; T37-M92 HydrophobicContact CG2-CB 4.24Å; T37-M92 HydrophobicContact CG2-SD 3.96Å; T37-N94 WeakPolarHBondContact CA-OD1 3.21Å; T37-N94 VanDerWaalsContact CB-OD1 3.27Å; T37-N94 WeakPolarHBondContact CB-OD1 3.5Å; T37-N94 VanDerWaalsContact CG2-OD1 3.22Å; T37-N94 WeakPolarHBondContact CG2-OD1 3.35Å; T37-N94 PolarHBondContact OG1-OD1 3.23Å |
| 38 | C | 87.4 | Confident | 79.5 | Confident | 5 Ų | 5 | 61.8 Ų | 61.8 | 3% | 0.034 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 109.7 | 175 | 179.9 | 0 | 0 | 0 | 0 | 109 | W52 M92 S93 C110 | C38-W52 HydrophobicContact CB-CH2 3.8Å; C38-W52 HydrophobicContact CB-CZ2 3.72Å; C38-M92 CarbonylContact O-C 3.54Å; C38-M92 WeakPolarHBondContact O-CA 3.31Å; C38-M92 VanDerWaalsContact O-CB 3.28Å; C38-M92 WeakPolarHBondContact O-CB 3.05Å; C38-S93 PolarHBondContact N-O 2.99Å; C38-S93 PolarHBondContact O-N 3.33Å; C38-C110 HydrophobicContact CB-CB 3.49Å; C38-C110 VanDerWaalsContact CB-CB 3.49Å; C38-C110 WeakPolarHBondContact CB-SG 3.21Å; C38-C110 WeakPolarHBondContact SG-CB 3.49Å; C38-C110 CovalentContact SG-SG 2.02Å; C38-C110 PolarHBondContact SG-SG 2.96Å |
| 39 | V | 84.6 | Confident | 79.1 | Confident | 109 Ų | 109 | 64 Ų | 64 | 66% | 0.661 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 130.6 | 178.6 | -176.7 | 0 | 0 | 0 | 0 | 109.6 | T37 | T37-V39 HydrophobicContact CG2-CG2 4.31Å |
| 40 | L | 77.2 | Confident | 79 | Confident | 16 Ų | 16 | 59.2 Ų | 59.2 | 8% | 0.084 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -95.9 | 143 | -179.7 | -65.9 | 150.5 | 0 | 0 | 0 | 110.6 | L44 L50 Y88 K91 Y112 M119 | L40-L44 HydrophobicContact CD2-CD1 4.21Å; L40-L50 HydrophobicContact CD1-CD1 4.48Å; L40-L50 HydrophobicContact CD2-CD1 4.32Å; L40-Y88 HydrophobicContact CD1-CD2 3.93Å; L40-Y88 HydrophobicContact CD1-CE2 3.36Å; L40-K91 WeakPolarHBondContact CB-O 3.49Å; L40-K91 PolarHBondContact N-O 2.88Å; L40-Y112 HydrophobicContact CD2-CG 4.41Å; L40-M119 HydrophobicContact CB-CE 4.34Å; L40-M119 HydrophobicContact CD2-CE 3.92Å; L40-M119 HydrophobicContact CG-CE 4.48Å |
| 41 | S | 68.6 | Low | 79 | Confident | 64 Ų | 64 | 58.1 Ų | 58.1 | 45% | 0.448 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -77 | 145.2 | 171.8 | -172.4 | 0 | 0 | 0 | 0 | 110.6 | A43 L44 | S41-A43 PolarHBondContact O-N 2.87Å; S41-L44 WeakPolarHBondContact O-CB 3.37Å; S41-L44 WeakPolarHBondContact O-CG 3.45Å; S41-L44 PolarHBondContact O-N 2.89Å |
| 42 | E | 58.5 | Low | 79.1 | Confident | 165 Ų | 165 | 56.8 Ų | 56.8 | 77% | 0.771 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -59.6 | -19 | -172.7 | -68.1 | -176.3 | 166.3 | 0 | 0 | 114.5 | L44 Q45 | E42-L44 PolarHBondContact O-N 3.21Å; E42-L44 VanDerWaalsContact O-N 3.14Å; E42-Q45 WeakPolarHBondContact O-CG 3.15Å; E42-Q45 PolarHBondContact O-NE2 2.95Å |
| 43 | A | 56.6 | Low | 79.1 | Confident | 75 Ų | 75 | 54.6 Ų | 54.6 | 62% | 0.62 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -72.4 | 2.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115 | S41 | S41-A43 PolarHBondContact O-N 2.87Š|
| 44 | L | 57.3 | Low | 78.9 | Confident | 10 Ų | 10 | 51.5 Ų | 51.5 | 5% | 0.052 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -113.5 | 21.7 | -163.6 | -55.7 | 173 | 0 | 0 | 0 | 114.3 | L40 S41 E42 S46 Y112 N114 M119 | L40-L44 HydrophobicContact CD2-CD1 4.21Å; S41-L44 WeakPolarHBondContact O-CB 3.37Å; S41-L44 WeakPolarHBondContact O-CG 3.45Å; S41-L44 PolarHBondContact O-N 2.89Å; E42-L44 PolarHBondContact O-N 3.21Å; E42-L44 VanDerWaalsContact O-N 3.14Å; L44-S46 VanDerWaalsContact C-N 3.33Å; L44-S46 PolarHBondContact O-N 2.87Å; L44-Y112 HydrophobicContact CB-CD1 4.19Å; L44-Y112 HydrophobicContact CB-CE1 3.61Å; L44-Y112 HydrophobicContact CD1-CD1 3.8Å; L44-Y112 HydrophobicContact CD1-CE1 4.07Å; L44-Y112 HydrophobicContact CD2-CD1 3.88Å; L44-Y112 HydrophobicContact CD2-CE1 3.55Å; L44-Y112 HydrophobicContact CG-CD1 4.15Å; L44-Y112 HydrophobicContact CG-CE1 3.9Å; L44-Y112 PolarHBondContact O-OH 3.04Å; L44-N114 HydrophobicContact CD2-CB 4.45Å; L44-M119 HydrophobicContact CD1-CE 3.61Å; L44-M119 HydrophobicContact CD1-SD 4.29Å |
| 45 | Q | 55.8 | Low | 78.6 | Confident | 138 Ų | 138 | 51.7 Ų | 51.7 | 65% | 0.645 | 29% | 0.289 | S | S | * | . | trans | -73 | -9.6 | -168.7 | -67.9 | 173.3 | 31.9 | 0 | 0 | 116.2 | E42 | E42-Q45 WeakPolarHBondContact O-CG 3.15Å; E42-Q45 PolarHBondContact O-NE2 2.95Å | ||
| 46 | S | 57.2 | Low | 78 | Confident | 80 Ų | 80 | 50.1 Ų | 50.1 | 56% | 0.559 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -105.8 | 100.9 | 178.9 | 46 | 0 | 0 | 0 | 0 | 111.3 | L44 Y112 | L44-S46 VanDerWaalsContact C-N 3.33Å; L44-S46 PolarHBondContact O-N 2.87Å; S46-Y112 PolarHBondContact O-OH 3.35Å |
| 47 | V | 63.3 | Low | 77 | Confident | 67 Ų | 67 | 52.9 Ų | 52.9 | 41% | 0.406 | 30% | 0.304 | S | S | . | . | trans | -55 | 134.6 | -164 | -178.7 | 0 | 0 | 0 | 0 | 115.2 | R68 K69 | V47-R68 HydrophobicContact CG1-CB 4.2Å; V47-R68 HydrophobicContact CG1-CG 4.2Å; V47-K69 HydrophobicContact CG2-CB 3.69Å; V47-K69 HydrophobicContact CG2-CD 4.28Å | ||
| 48 | S | 69.8 | Low | 76 | Confident | 40 Ų | 40 | 53.2 Ų | 53.2 | 28% | 0.28 | 32% | 0.319 | S | S | . | . | trans | -110.5 | -80.9 | 157.3 | 178.3 | 0 | 0 | 0 | 0 | 110.4 | L113 | S48-L113 WeakPolarHBondContact CB-O 3.41Å; S48-L113 PolarHBondContact OG-O 2.65Å | ||
| 49 | W | 81.9 | Confident | 75.4 | Confident | 57 Ų | 57 | 55.6 Ų | 55.6 | 22% | 0.216 | 33% | 0.332 | C | S | . | . | trans | -165.9 | 149.2 | 173.2 | -83.4 | 94.1 | 0 | 0 | 0 | 108.3 | Y51 M66 R68 I74 Y112 | W49-Y51 HydrophobicContact CB-CD2 4.34Å; W49-Y51 HydrophobicContact CB-CE1 4.48Å; W49-Y51 HydrophobicContact CB-CE2 3.45Å; W49-Y51 VanDerWaalsContact CB-CE2 3.45Å; W49-Y51 WeakPolarHBondContact CB-OH 3.34Å; W49-M66 HydrophobicContact CD2-CE 3.58Å; W49-M66 HydrophobicContact CE3-CB 4.25Å; W49-M66 HydrophobicContact CE3-CE 3.29Å; W49-M66 HydrophobicContact CE3-CG 4.28Å; W49-M66 HydrophobicContact CG-CE 4.27Å; W49-M66 HydrophobicContact CH2-CE 3.91Å; W49-M66 HydrophobicContact CZ2-CE 4.16Å; W49-M66 HydrophobicContact CZ3-CB 4.49Å; W49-M66 HydrophobicContact CZ3-CE 3.47Å; W49-M66 VanDerWaalsContact CZ3-CE 3.47Å; W49-M66 HydrophobicContact CZ3-CG 4.09Å; W49-R68 HydrophobicContact CD2-CG 3.79Å; W49-R68 VanDerWaalsContact CE2-NE 3.3Å; W49-R68 HydrophobicContact CE3-CG 3.87Å; W49-R68 HydrophobicContact CG-CG 4.41Å; W49-R68 HydrophobicContact CH2-CG 4.14Å; W49-R68 HydrophobicContact CZ2-CG 4.06Å; W49-R68 HydrophobicContact CZ3-CG 4.05Å; W49-I74 HydrophobicContact CH2-CD1 3.94Å; W49-I74 HydrophobicContact CZ3-CD1 4.19Å; W49-Y112 WeakPolarHBondContact O-CD2 3.44Å | ||
| 50 | L | 88.4 | Confident | 75.4 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 136.1 | 169.7 | -172.9 | 141.2 | 0 | 0 | 0 | 110.2 | L40 W52 M66 L67 Y88 S93 | L40-L50 HydrophobicContact CD1-CD1 4.48Å; L40-L50 HydrophobicContact CD2-CD1 4.32Å; L50-W52 VanDerWaalsContact CD2-CD1 3.45Å; L50-W52 HydrophobicContact CD2-CG 4.41Å; L50-M66 CarbonylContact O-C 3.57Å; L50-M66 WeakPolarHBondContact O-CA 3.46Å; L50-L67 HydrophobicContact CB-CD2 4.27Å; L50-L67 HydrophobicContact CD2-CD2 3.82Å; L50-L67 PolarHBondContact N-O 2.83Å; L50-L67 PolarHBondContact O-N 3.33Å; L50-Y88 HydrophobicContact CB-CD1 4.11Å; L50-Y88 HydrophobicContact CB-CE1 4.19Å; L50-Y88 HydrophobicContact CD1-CD2 4.17Å; L50-Y88 HydrophobicContact CD1-CE2 4.31Å; L50-Y88 HydrophobicContact CD1-CG 4.45Å; L50-S93 VanDerWaalsContact CD1-CB 3.4Å; L50-S93 VanDerWaalsContact CD2-OG 3.32Å; L50-S93 WeakPolarHBondContact CD2-OG 3.49Å |
| 51 | Y | 91 | Very high | 75.8 | Confident | 47 Ų | 47 | 58.1 Ų | 58.1 | 18% | 0.184 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 136.8 | -178.1 | -54.6 | -96.4 | 0 | 0 | 0 | 110.2 | W49 Y53 L63 M66 C110 A111 L113 | W49-Y51 HydrophobicContact CB-CD2 4.34Å; W49-Y51 HydrophobicContact CB-CE1 4.48Å; W49-Y51 HydrophobicContact CB-CE2 3.45Å; W49-Y51 VanDerWaalsContact CB-CE2 3.45Å; W49-Y51 WeakPolarHBondContact CB-OH 3.34Å; Y51-Y53 VanDerWaalsContact CB-CE2 3.46Å; Y51-Y53 HydrophobicContact CG-CE2 4.28Å; Y51-L63 HydrophobicContact CD1-CD1 4.07Å; Y51-M66 HydrophobicContact CD1-CB 3.65Å; Y51-M66 HydrophobicContact CD1-CE 4.36Å; Y51-M66 HydrophobicContact CD1-SD 4.32Å; Y51-M66 HydrophobicContact CE1-CB 3.96Å; Y51-M66 HydrophobicContact CE1-CE 3.49Å; Y51-M66 VanDerWaalsContact CE1-CE 3.49Å; Y51-M66 HydrophobicContact CE1-SD 3.88Å; Y51-M66 HydrophobicContact CG-CB 4.39Å; Y51-C110 CarbonylContact O-C 3.56Å; Y51-C110 WeakPolarHBondContact O-CA 2.89Å; Y51-A111 PolarHBondContact N-O 2.91Å; Y51-A111 PolarHBondContact O-N 3.14Å; Y51-L113 HydrophobicContact CD2-CD1 4.32Å; Y51-L113 HydrophobicContact CE2-CD1 4.25Å |
| 52 | W | 94.3 | Very high | 77 | Confident | 2 Ų | 2 | 59.6 Ų | 59.6 | 1% | 0.008 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 125.8 | 168.6 | -81.1 | 98.3 | 0 | 0 | 0 | 109.7 | V36 C38 L50 V64 S65 S93 L95 H109 C110 | V36-W52 HydrophobicContact CB-CH2 4.16Å; V36-W52 HydrophobicContact CB-CZ3 4.26Å; V36-W52 HydrophobicContact CG1-CH2 3.81Å; V36-W52 HydrophobicContact CG1-CZ3 3.81Å; C38-W52 HydrophobicContact CB-CH2 3.8Å; C38-W52 HydrophobicContact CB-CZ2 3.72Å; L50-W52 VanDerWaalsContact CD2-CD1 3.45Å; L50-W52 HydrophobicContact CD2-CG 4.41Å; W52-V64 HydrophobicContact CB-CB 4.23Å; W52-V64 WeakPolarHBondContact O-CB 3.4Å; W52-V64 PolarHBondContact O-N 2.87Å; W52-S65 PolarHBondContact N-O 2.75Å; W52-S65 PolarHBondContact O-N 2.81Å; W52-S93 PolarHBondContact NE1-OG 3.08Å; W52-L95 HydrophobicContact CB-CD2 4.22Å; W52-L95 HydrophobicContact CD2-CB 3.65Å; W52-L95 HydrophobicContact CD2-CD2 3.96Å; W52-L95 HydrophobicContact CD2-CG 4.35Å; W52-L95 HydrophobicContact CE3-CB 3.98Å; W52-L95 HydrophobicContact CE3-CD2 3.82Å; W52-L95 HydrophobicContact CG-CB 4.09Å; W52-L95 HydrophobicContact CG-CD2 4.16Å; W52-L95 HydrophobicContact CG-CG 4.49Å; W52-L95 HydrophobicContact CH2-CB 4.21Å; W52-L95 HydrophobicContact CZ2-CB 3.91Å; W52-L95 HydrophobicContact CZ3-CB 4.25Å; W52-L95 HydrophobicContact CZ3-CD2 4.49Å; W52-H109 CarbonylContact C-O 3.53Å; W52-H109 WeakPolarHBondContact CA-O 3.23Å; W52-C110 HydrophobicContact CD2-CB 4.18Å; W52-C110 HydrophobicContact CE3-CB 4.11Å; W52-C110 HydrophobicContact CH2-CB 3.91Å; W52-C110 HydrophobicContact CZ2-CB 3.97Å; W52-C110 HydrophobicContact CZ3-CB 3.98Å |
| 53 | Y | 94.1 | Very high | 78.7 | Confident | 56 Ų | 56 | 54 Ų | 54 | 22% | 0.22 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 150.5 | 174.5 | -63.1 | -85.2 | 0 | 0 | 0 | 110.7 | Y51 L61 K62 L63 Y108 H109 A111 W120 | Y51-Y53 VanDerWaalsContact CB-CE2 3.46Å; Y51-Y53 HydrophobicContact CG-CE2 4.28Å; Y53-L61 HydrophobicContact CD1-CB 4.42Å; Y53-L61 HydrophobicContact CG-CD2 4.35Å; Y53-K62 CarbonylContact C-O 3.29Å; Y53-K62 VanDerWaalsContact CA-O 3.28Å; Y53-K62 WeakPolarHBondContact CA-O 3.48Å; Y53-L63 HydrophobicContact CD1-CB 4.16Å; Y53-L63 HydrophobicContact CD1-CD1 4.21Å; Y53-L63 HydrophobicContact CE1-CB 3.91Å; Y53-L63 HydrophobicContact CE1-CD1 3.72Å; Y53-L63 HydrophobicContact CE1-CG 4.43Å; Y53-Y108 CarbonylContact O-C 3.58Å; Y53-Y108 WeakPolarHBondContact O-CA 3.48Å; Y53-H109 PolarHBondContact N-O 3.3Å; Y53-H109 PolarHBondContact O-N 3.06Å; Y53-A111 HydrophobicContact CE2-CB 4.2Å; Y53-W120 AromaticContact CD2-CH2 3.65Å; Y53-W120 HydrophobicContact CD2-CH2 3.65Å; Y53-W120 HydrophobicContact CD2-CZ3 4.08Å; Y53-W120 HydrophobicContact CE2-CH2 4.1Å; Y53-W120 HydrophobicContact CE2-CZ3 4.15Å; Y53-W120 HydrophobicContact CG-CH2 4.35Å |
| 54 | K | 93.9 | Very high | 80.6 | Confident | 15 Ų | 15 | 50.5 Ų | 50.5 | 7% | 0.065 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 137.8 | 170.1 | 179 | -175.1 | 176.2 | -170.4 | 0 | 109 | S56 K62 V64 F79 E103 D104 M107 Y108 | K54-S56 WeakPolarHBondContact CE-OG 3.35Å; K54-K62 PolarHBondContact N-O 2.89Å; K54-K62 PolarHBondContact O-N 2.91Å; K54-V64 HydrophobicContact CB-CG2 3.54Å; K54-F79 HydrophobicContact CB-CZ 4.46Å; K54-F79 HydrophobicContact CD-CE1 4.15Å; K54-F79 HydrophobicContact CD-CZ 4.2Å; K54-E103 WeakPolarHBondContact CE-O 3.34Å; K54-E103 PolarHBondContact NZ-O 2.65Å; K54-D104 IonicContact NZ-OD1 3.45Å; K54-M107 CarbonylContact C-O 3.54Å; K54-M107 WeakPolarHBondContact CA-O 3.39Å; K54-Y108 HydrophobicContact CB-CD1 4.27Å; K54-Y108 HydrophobicContact CB-CE1 4.06Å; K54-Y108 HydrophobicContact CD-CE1 4.09Å; K54-Y108 HydrophobicContact CG-CD1 4.48Å; K54-Y108 HydrophobicContact CG-CE1 4.01Å; K54-Y108 HydrophobicContact CG-CE2 4.43Å |
| 55 | Q | 87.9 | Confident | 82.5 | Confident | 18 Ų | 18 | 50 Ų | 50 | 8% | 0.084 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 108.5 | 172.3 | -163.5 | -173.9 | 13.9 | 0 | 0 | 108.9 | M5 L61 M107 | M5-Q55 HydrophobicContact CE-CG 3.63Å; M5-Q55 HydrophobicContact SD-CG 4.29Å; Q55-L61 HydrophobicContact CB-CD2 4.04Å; Q55-L61 HydrophobicContact CB-CG 4.49Å; Q55-M107 HydrophobicContact CB-CB 4.22Å; Q55-M107 PolarHBondContact N-O 2.89Å; Q55-M107 PolarHBondContact O-N 3.04Å |
| 56 | S | 84.1 | Confident | 84.2 | Confident | 29 Ų | 29 | 45.1 Ų | 45.1 | 20% | 0.203 | 26% | 0.264 | C | S | . | . | trans | -83.4 | 157.4 | 174 | -61 | 0 | 0 | 0 | 0 | 110.7 | M5 K54 G58 D59 | M5-S56 VanDerWaalsContact CE-O 3.24Å; M5-S56 WeakPolarHBondContact CE-O 2.97Å; K54-S56 WeakPolarHBondContact CE-OG 3.35Å; S56-G58 PolarHBondContact O-N 2.93Å; S56-G58 VanDerWaalsContact O-N 3.14Å; S56-D59 WeakPolarHBondContact O-CB 3.05Å; S56-D59 PolarHBondContact O-N 2.81Å | ||
| 57 | A | 73 | Confident | 85.8 | Confident | 61 Ų | 61 | 41.4 Ų | 41.4 | 50% | 0.504 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | 118.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | M5 D59 | M5-A57 HydrophobicContact CG-CB 4.22Å; M5-A57 WeakPolarHBondContact SD-CA 3.4Å; M5-A57 HydrophobicContact SD-CB 4.37Å; A57-D59 VanDerWaalsContact C-N 3.31Å |
| 58 | G | 70.5 | Confident | 86.9 | Confident | 64 Ų | 64 | 44 Ų | 44 | 66% | 0.66 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80 | 7.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115 | S56 | S56-G58 PolarHBondContact O-N 2.93Å; S56-G58 VanDerWaalsContact O-N 3.14Å |
| 59 | D | 76.5 | Confident | 87.4 | Confident | 55 Ų | 55 | 44.8 Ų | 44.8 | 29% | 0.294 | 24% | 0.239 | S | C | . | . | trans | -114.1 | 164.2 | -177.5 | -153.4 | -8.6 | 0 | 0 | 0 | 111.7 | S56 A57 K62 | S56-D59 WeakPolarHBondContact O-CB 3.05Å; S56-D59 PolarHBondContact O-N 2.81Å; A57-D59 VanDerWaalsContact C-N 3.31Å; D59-K62 WeakPolarHBondContact OD1-CE 3.35Å; D59-K62 IonicContact OD1-NZ 3.88Å; D59-K62 PolarHBondContact OD1-NZ 2.04Å; D59-K62 WeakPolarHBondContact OD2-CE 3.46Å; D59-K62 IonicContact OD2-NZ 3.37Å; D59-K62 PolarHBondContact OD2-NZ 2.8Å | ||
| 60 | T | 82.8 | Confident | 87.2 | Confident | 101 Ų | 101 | 48.4 Ų | 48.4 | 62% | 0.62 | 26% | 0.262 | S | S | * | . | trans | -84.1 | 168.6 | 173.6 | 59.2 | 0 | 0 | 0 | 0 | 111.5 | K62 | T60-K62 PolarHBondContact O-N 3.22Š| ||
| 61 | L | 87.1 | Confident | 87.2 | Confident | 77 Ų | 77 | 51.6 Ų | 51.6 | 40% | 0.403 | 28% | 0.282 | S | S | . | . | trans | -62.8 | 122.1 | 174 | -78.9 | 157.3 | 0 | 0 | 0 | 110.2 | Y53 Q55 H109 W120 | Y53-L61 HydrophobicContact CD1-CB 4.42Å; Y53-L61 HydrophobicContact CG-CD2 4.35Å; Q55-L61 HydrophobicContact CB-CD2 4.04Å; Q55-L61 HydrophobicContact CB-CG 4.49Å; L61-H109 VanDerWaalsContact CD2-CD2 3.49Å; L61-H109 WeakPolarHBondContact CD2-CD2 3.44Å; L61-W120 HydrophobicContact CD1-CH2 4.4Å; L61-W120 HydrophobicContact CD1-CZ2 4.32Å; L61-W120 HydrophobicContact CD2-CZ2 4.28Å | ||
| 62 | K | 93.2 | Very high | 87.2 | Confident | 95 Ų | 95 | 56.3 Ų | 56.3 | 41% | 0.413 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 130.4 | 175.9 | -69.8 | 177.3 | 174.5 | 170.9 | 0 | 110 | Y53 K54 D59 T60 V64 F79 | Y53-K62 CarbonylContact C-O 3.29Å; Y53-K62 VanDerWaalsContact CA-O 3.28Å; Y53-K62 WeakPolarHBondContact CA-O 3.48Å; K54-K62 PolarHBondContact N-O 2.89Å; K54-K62 PolarHBondContact O-N 2.91Å; D59-K62 WeakPolarHBondContact OD1-CE 3.35Å; D59-K62 IonicContact OD1-NZ 3.88Å; D59-K62 PolarHBondContact OD1-NZ 2.04Å; D59-K62 WeakPolarHBondContact OD2-CE 3.46Å; D59-K62 IonicContact OD2-NZ 3.37Å; D59-K62 PolarHBondContact OD2-NZ 2.8Å; T60-K62 PolarHBondContact O-N 3.22Å; K62-V64 PolarHBondContact O-N 2.99Å; K62-F79 HydrophobicContact CB-CE2 4.14Å; K62-F79 HydrophobicContact CB-CZ 4.41Å |
| 63 | L | 94.7 | Very high | 87.1 | Confident | 48 Ų | 48 | 57.5 Ų | 57.5 | 25% | 0.251 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 118.5 | 176.4 | -178.7 | 69.3 | 0 | 0 | 0 | 109.6 | Y51 Y53 M66 G76 F79 | Y51-L63 HydrophobicContact CD1-CD1 4.07Å; Y53-L63 HydrophobicContact CD1-CB 4.16Å; Y53-L63 HydrophobicContact CD1-CD1 4.21Å; Y53-L63 HydrophobicContact CE1-CB 3.91Å; Y53-L63 HydrophobicContact CE1-CD1 3.72Å; Y53-L63 HydrophobicContact CE1-CG 4.43Å; L63-M66 HydrophobicContact CD2-SD 4.3Å; L63-G76 WeakPolarHBondContact O-CA 3.39Å; L63-F79 WeakPolarHBondContact O-CD2 3.24Å; L63-F79 WeakPolarHBondContact O-CE2 3.38Å |
| 64 | V | 96.8 | Very high | 87.2 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | -55.8 | 174 | 179.9 | 0 | 0 | 0 | 0 | 109.4 | W52 K54 K62 Y75 G76 F79 F84 L95 | W52-V64 HydrophobicContact CB-CB 4.23Å; W52-V64 WeakPolarHBondContact O-CB 3.4Å; W52-V64 PolarHBondContact O-N 2.87Å; K54-V64 HydrophobicContact CB-CG2 3.54Å; K62-V64 PolarHBondContact O-N 2.99Å; V64-Y75 WeakPolarHBondContact O-CA 3.3Å; V64-Y75 WeakPolarHBondContact O-CD1 3.46Å; V64-G76 PolarHBondContact O-N 3.41Å; V64-F79 HydrophobicContact CB-CD1 4.23Å; V64-F79 HydrophobicContact CB-CE1 4.4Å; V64-F79 HydrophobicContact CB-CG 4.39Å; V64-F79 HydrophobicContact CG1-CB 4.46Å; V64-F79 HydrophobicContact CG1-CD1 3.78Å; V64-F79 HydrophobicContact CG1-CE1 4.26Å; V64-F79 HydrophobicContact CG1-CG 4.14Å; V64-F79 HydrophobicContact CG2-CD1 4.14Å; V64-F79 HydrophobicContact CG2-CE1 3.81Å; V64-F79 HydrophobicContact CG2-CE2 4.44Å; V64-F79 HydrophobicContact CG2-CZ 3.98Å; V64-F79 WeakPolarHBondContact O-CB 3.2Å; V64-F84 HydrophobicContact CG1-CD1 3.94Å; V64-F84 HydrophobicContact CG1-CE1 4.31Å; V64-F84 HydrophobicContact CG1-CG 4.22Å; V64-L95 HydrophobicContact CG1-CD1 3.9Å; V64-L95 HydrophobicContact CG1-CD2 4.16Å |
| 65 | S | 95.5 | Very high | 87.3 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 154.3 | -179.5 | 64.1 | 0 | 0 | 0 | 0 | 111.8 | W52 I74 T86 | W52-S65 PolarHBondContact N-O 2.75Å; W52-S65 PolarHBondContact O-N 2.81Å; S65-I74 CarbonylContact C-O 3.58Å; S65-I74 WeakPolarHBondContact CA-O 3.37Å; S65-T86 PolarHBondContact OG-OG1 2.93Å |
| 66 | M | 93.3 | Very high | 87.7 | Confident | 35 Ų | 35 | 60.7 Ų | 60.7 | 17% | 0.172 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 144.6 | 167.3 | 63.1 | -174.5 | -72.5 | 0 | 0 | 110.7 | W49 L50 Y51 L63 I74 | W49-M66 HydrophobicContact CD2-CE 3.58Å; W49-M66 HydrophobicContact CE3-CB 4.25Å; W49-M66 HydrophobicContact CE3-CE 3.29Å; W49-M66 HydrophobicContact CE3-CG 4.28Å; W49-M66 HydrophobicContact CG-CE 4.27Å; W49-M66 HydrophobicContact CH2-CE 3.91Å; W49-M66 HydrophobicContact CZ2-CE 4.16Å; W49-M66 HydrophobicContact CZ3-CB 4.49Å; W49-M66 HydrophobicContact CZ3-CE 3.47Å; W49-M66 VanDerWaalsContact CZ3-CE 3.47Å; W49-M66 HydrophobicContact CZ3-CG 4.09Å; L50-M66 CarbonylContact O-C 3.57Å; L50-M66 WeakPolarHBondContact O-CA 3.46Å; Y51-M66 HydrophobicContact CD1-CB 3.65Å; Y51-M66 HydrophobicContact CD1-CE 4.36Å; Y51-M66 HydrophobicContact CD1-SD 4.32Å; Y51-M66 HydrophobicContact CE1-CB 3.96Å; Y51-M66 HydrophobicContact CE1-CE 3.49Å; Y51-M66 VanDerWaalsContact CE1-CE 3.49Å; Y51-M66 HydrophobicContact CE1-SD 3.88Å; Y51-M66 HydrophobicContact CG-CB 4.39Å; L63-M66 HydrophobicContact CD2-SD 4.3Å; M66-I74 HydrophobicContact CG-CB 4.03Å; M66-I74 PolarHBondContact N-O 2.99Å; M66-I74 PolarHBondContact O-N 3.43Å |
| 67 | L | 90.6 | Very high | 88.2 | Confident | 2 Ų | 2 | 65.3 Ų | 65.3 | 1% | 0.01 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 153.2 | 179.2 | 73.8 | 174.7 | 0 | 0 | 0 | 112.3 | L50 P73 T86 Y88 | L50-L67 HydrophobicContact CB-CD2 4.27Å; L50-L67 HydrophobicContact CD2-CD2 3.82Å; L50-L67 PolarHBondContact N-O 2.83Å; L50-L67 PolarHBondContact O-N 3.33Å; L67-P73 HydrophobicContact CB-CB 4.26Å; L67-P73 HydrophobicContact CD1-CB 4.47Å; L67-T86 HydrophobicContact CD1-CG2 3.99Å; L67-T86 HydrophobicContact CD2-CG2 3.53Å; L67-T86 HydrophobicContact CG-CG2 4.42Å; L67-Y88 HydrophobicContact CG-CD1 4.26Å; L67-Y88 HydrophobicContact CG-CG 4.49Å |
| 68 | R | 86.1 | Confident | 89.1 | Confident | 123 Ų | 123 | 66.3 Ų | 66.3 | 46% | 0.464 | 38% | 0.384 | S | S | . | . | trans | -90.3 | 160.9 | 163.4 | -68.1 | -178.4 | 174.3 | 178.5 | -1.8 | 109.5 | V47 W49 N70 T71 | V47-R68 HydrophobicContact CG1-CB 4.2Å; V47-R68 HydrophobicContact CG1-CG 4.2Å; W49-R68 HydrophobicContact CD2-CG 3.79Å; W49-R68 VanDerWaalsContact CE2-NE 3.3Å; W49-R68 HydrophobicContact CE3-CG 3.87Å; W49-R68 HydrophobicContact CG-CG 4.41Å; W49-R68 HydrophobicContact CH2-CG 4.14Å; W49-R68 HydrophobicContact CZ2-CG 4.06Å; W49-R68 HydrophobicContact CZ3-CG 4.05Å; R68-N70 PolarHBondContact O-N 2.89Å; R68-T71 VanDerWaalsContact C-OG1 3.3Å; R68-T71 WeakPolarHBondContact CA-OG1 3.4Å; R68-T71 HydrophobicContact CB-CG2 3.96Å; R68-T71 WeakPolarHBondContact CB-OG1 3.21Å; R68-T71 PolarHBondContact N-OG1 2.84Å; R68-T71 PolarHBondContact O-N 3.19Å; R68-T71 VanDerWaalsContact O-N 3.13Å; R68-T71 PolarHBondContact O-OG1 2.83Å | ||
| 69 | K | 80.4 | Confident | 90.2 | Very high | 55 Ų | 55 | 64.7 Ų | 64.7 | 24% | 0.239 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | 133.8 | 176.3 | -173.9 | -174.7 | 169.1 | -172.1 | 0 | 110.2 | V47 T71 Y88 D90 | V47-K69 HydrophobicContact CG2-CB 3.69Å; V47-K69 HydrophobicContact CG2-CD 4.28Å; K69-T71 PolarHBondContact O-N 3.28Å; K69-T71 VanDerWaalsContact O-N 3.17Å; K69-Y88 VanDerWaalsContact CA-CD1 3.47Å; K69-Y88 HydrophobicContact CB-CD1 4.09Å; K69-Y88 HydrophobicContact CB-CE1 3.77Å; K69-Y88 VanDerWaalsContact N-CD1 3.33Å; K69-D90 WeakPolarHBondContact CE-OD1 3.13Å; K69-D90 VanDerWaalsContact CE-OD2 3.26Å; K69-D90 WeakPolarHBondContact CE-OD2 2.99Å; K69-D90 IonicContact NZ-OD1 2.55Å; K69-D90 PolarHBondContact NZ-OD1 2.64Å; K69-D90 IonicContact NZ-OD2 2.69Å; K69-D90 PolarHBondContact NZ-OD2 3.4Å |
| 70 | N | 77.9 | Confident | 91.2 | Very high | 133 Ų | 133 | 64.4 Ų | 64.4 | 71% | 0.711 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 25.9 | 179.1 | -56.1 | -24.7 | 0 | 0 | 0 | 114.8 | R68 | R68-N70 PolarHBondContact O-N 2.89Š|
| 71 | T | 87.4 | Confident | 91.8 | Very high | 68 Ų | 68 | 62.8 Ų | 62.8 | 42% | 0.417 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -119.1 | 161.3 | 174.9 | 65.7 | 0 | 0 | 0 | 0 | 111.4 | R68 K69 | R68-T71 VanDerWaalsContact C-OG1 3.3Å; R68-T71 WeakPolarHBondContact CA-OG1 3.4Å; R68-T71 HydrophobicContact CB-CG2 3.96Å; R68-T71 WeakPolarHBondContact CB-OG1 3.21Å; R68-T71 PolarHBondContact N-OG1 2.84Å; R68-T71 PolarHBondContact O-N 3.19Å; R68-T71 VanDerWaalsContact O-N 3.13Å; R68-T71 PolarHBondContact O-OG1 2.83Å; K69-T71 PolarHBondContact O-N 3.28Å; K69-T71 VanDerWaalsContact O-N 3.17Å |
| 72 | N | 90.4 | Very high | 92.2 | Very high | 146 Ų | 146 | 63.6 Ų | 63.6 | 78% | 0.781 | 37% | 0.369 | S | S | * | . | P | Polyproline II helix | trans | -69.9 | 143 | 174.3 | -68.1 | -34 | 0 | 0 | 0 | 111.1 | ||
| 73 | P | 93.9 | Very high | 92.3 | Very high | 26 Ų | 26 | 62.7 Ų | 62.7 | 17% | 0.169 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -70.9 | 142.4 | 178.7 | 28.3 | -33.9 | 0 | 0 | 0 | 113 | L67 Y75 | L67-P73 HydrophobicContact CB-CB 4.26Å; L67-P73 HydrophobicContact CD1-CB 4.47Å; P73-Y75 HydrophobicContact CB-CE2 4.22Å; P73-Y75 HydrophobicContact CG-CE2 3.8Å; P73-Y75 WeakPolarHBondContact CG-OH 3.47Å |
| 74 | I | 95.4 | Very high | 92.4 | Very high | 96 Ų | 96 | 60.5 Ų | 60.5 | 49% | 0.492 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 120.8 | 168.3 | -56.5 | 173.4 | 0 | 0 | 0 | 107 | W49 S65 M66 | W49-I74 HydrophobicContact CH2-CD1 3.94Å; W49-I74 HydrophobicContact CZ3-CD1 4.19Å; S65-I74 CarbonylContact C-O 3.58Å; S65-I74 WeakPolarHBondContact CA-O 3.37Å; M66-I74 HydrophobicContact CG-CB 4.03Å; M66-I74 PolarHBondContact N-O 2.99Å; M66-I74 PolarHBondContact O-N 3.43Å |
| 75 | Y | 96.9 | Very high | 92.4 | Very high | 52 Ų | 52 | 64 Ų | 64 | 20% | 0.204 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 144.7 | -178.1 | -64.9 | -86.1 | 0 | 0 | 0 | 111.9 | V64 P73 F79 A81 F84 | V64-Y75 WeakPolarHBondContact O-CA 3.3Å; V64-Y75 WeakPolarHBondContact O-CD1 3.46Å; P73-Y75 HydrophobicContact CB-CE2 4.22Å; P73-Y75 HydrophobicContact CG-CE2 3.8Å; P73-Y75 WeakPolarHBondContact CG-OH 3.47Å; Y75-F79 WeakPolarHBondContact CB-O 3.44Å; Y75-F79 HydrophobicContact CD1-CB 4.26Å; Y75-A81 HydrophobicContact CE2-CB 3.73Å; Y75-F84 HydrophobicContact CD1-CB 4.42Å; Y75-F84 HydrophobicContact CE1-CB 3.72Å; Y75-F84 PolarHBondContact OH-O 3.27Å |
| 76 | G | 95.3 | Very high | 92.3 | Very high | 8 Ų | 8 | 64.1 Ų | 64.1 | 8% | 0.082 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -77.2 | 172.5 | 172 | 0 | 0 | 0 | 0 | 0 | 112.7 | L63 V64 G78 F79 | L63-G76 WeakPolarHBondContact O-CA 3.39Å; V64-G76 PolarHBondContact O-N 3.41Å; G76-G78 PolarHBondContact O-N 3.29Å; G76-F79 PolarHBondContact O-N 3.23Å; G76-F79 VanDerWaalsContact O-N 3.08Å |
| 77 | P | 93.5 | Very high | 92.3 | Very high | 127 Ų | 127 | 65.4 Ų | 65.4 | 83% | 0.825 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | 131.3 | 179.7 | -23.6 | 33.8 | 0 | 0 | 0 | 112.4 | F79 | P77-F79 VanDerWaalsContact C-N 3.26Å; P77-F79 VanDerWaalsContact O-CD2 3.28Å; P77-F79 WeakPolarHBondContact O-CD2 3.44Å; P77-F79 PolarHBondContact O-N 2.76Å |
| 78 | G | 91.9 | Very high | 92.1 | Very high | 82 Ų | 82 | 66.1 Ų | 66.1 | 85% | 0.845 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.1 | -0.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | G76 | G76-G78 PolarHBondContact O-N 3.29Š|
| 79 | F | 95.6 | Very high | 91.9 | Very high | 29 Ų | 29 | 63 Ų | 63 | 13% | 0.127 | 38% | 0.377 | C | S | . | . | trans | -114.3 | 149.7 | 174.6 | -59.2 | -86.2 | 0 | 0 | 0 | 110.3 | K54 K62 L63 V64 Y75 G76 P77 F84 | K54-F79 HydrophobicContact CB-CZ 4.46Å; K54-F79 HydrophobicContact CD-CE1 4.15Å; K54-F79 HydrophobicContact CD-CZ 4.2Å; K62-F79 HydrophobicContact CB-CE2 4.14Å; K62-F79 HydrophobicContact CB-CZ 4.41Å; L63-F79 WeakPolarHBondContact O-CD2 3.24Å; L63-F79 WeakPolarHBondContact O-CE2 3.38Å; V64-F79 HydrophobicContact CB-CD1 4.23Å; V64-F79 HydrophobicContact CB-CE1 4.4Å; V64-F79 HydrophobicContact CB-CG 4.39Å; V64-F79 HydrophobicContact CG1-CB 4.46Å; V64-F79 HydrophobicContact CG1-CD1 3.78Å; V64-F79 HydrophobicContact CG1-CE1 4.26Å; V64-F79 HydrophobicContact CG1-CG 4.14Å; V64-F79 HydrophobicContact CG2-CD1 4.14Å; V64-F79 HydrophobicContact CG2-CE1 3.81Å; V64-F79 HydrophobicContact CG2-CE2 4.44Å; V64-F79 HydrophobicContact CG2-CZ 3.98Å; V64-F79 WeakPolarHBondContact O-CB 3.2Å; Y75-F79 WeakPolarHBondContact CB-O 3.44Å; Y75-F79 HydrophobicContact CD1-CB 4.26Å; G76-F79 PolarHBondContact O-N 3.23Å; G76-F79 VanDerWaalsContact O-N 3.08Å; P77-F79 VanDerWaalsContact C-N 3.26Å; P77-F79 VanDerWaalsContact O-CD2 3.28Å; P77-F79 WeakPolarHBondContact O-CD2 3.44Å; P77-F79 PolarHBondContact O-N 2.76Å; F79-F84 HydrophobicContact CB-CD2 4.45Å; F79-F84 AromaticContact CD1-CD2 4Å; F79-F84 HydrophobicContact CD1-CD2 4Å; F79-F84 HydrophobicContact CD1-CE1 4.3Å; F79-F84 AromaticContact CD1-CE2 3.54Å; F79-F84 HydrophobicContact CD1-CE2 3.54Å; F79-F84 AromaticContact CD1-CZ 3.71Å; F79-F84 HydrophobicContact CD1-CZ 3.71Å; F79-F84 HydrophobicContact CE1-CE2 4.21Å; F79-F84 AromaticContact CE1-CZ 3.95Å; F79-F84 HydrophobicContact CE1-CZ 3.95Å | ||
| 80 | S | 95.8 | Very high | 91.6 | Very high | 49 Ų | 49 | 64.1 Ų | 64.1 | 34% | 0.343 | 39% | 0.385 | S | S | . | . | trans | -156.8 | 161.8 | 179.3 | 69.1 | 0 | 0 | 0 | 0 | 112.7 | S82 R83 F84 | S80-S82 PolarHBondContact O-N 2.68Å; S80-S82 VanDerWaalsContact O-N 3.1Å; S80-S82 PolarHBondContact OG-OG 2.81Å; S80-R83 PolarHBondContact O-N 2.84Å; S80-R83 VanDerWaalsContact O-N 3.11Å; S80-F84 PolarHBondContact O-N 2.84Å | ||
| 81 | A | 95.6 | Very high | 91.7 | Very high | 67 Ų | 67 | 65.3 Ų | 65.3 | 55% | 0.554 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -20.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114 | Y75 R83 F84 | Y75-A81 HydrophobicContact CE2-CB 3.73Å; A81-R83 VanDerWaalsContact C-N 3.29Å; A81-R83 PolarHBondContact O-N 3.42Å; A81-F84 WeakPolarHBondContact CA-O 3.38Å |
| 82 | S | 95.3 | Very high | 91.7 | Very high | 94 Ų | 94 | 65.2 Ų | 65.2 | 66% | 0.657 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -23.9 | 177.8 | 71 | 0 | 0 | 0 | 0 | 113.6 | S80 | S80-S82 PolarHBondContact O-N 2.68Å; S80-S82 VanDerWaalsContact O-N 3.1Å; S80-S82 PolarHBondContact OG-OG 2.81Å |
| 83 | R | 96.1 | Very high | 91.6 | Very high | 77 Ų | 77 | 58.3 Ų | 58.3 | 29% | 0.291 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.2 | -26.5 | 179.5 | -61.1 | -139.9 | -53 | 127.7 | 1.4 | 113.6 | S80 A81 L98 S101 D104 | S80-R83 PolarHBondContact O-N 2.84Å; S80-R83 VanDerWaalsContact O-N 3.11Å; A81-R83 VanDerWaalsContact C-N 3.29Å; A81-R83 PolarHBondContact O-N 3.42Å; R83-L98 PolarHBondContact O-N 2.82Å; R83-S101 PolarHBondContact NH1-OG 2.8Å; R83-D104 IonicContact CZ-OD1 3.87Å; R83-D104 IonicContact CZ-OD2 3.46Å; R83-D104 IonicContact NH1-OD1 2.91Å; R83-D104 PolarHBondContact NH1-OD1 2.76Å; R83-D104 IonicContact NH1-OD2 2.93Å; R83-D104 PolarHBondContact NH1-OD2 2.8Å; R83-D104 IonicContact NH2-OD1 3.89Å; R83-D104 PolarHBondContact NH2-OD1 3.03Å; R83-D104 IonicContact NH2-OD2 3.61Å |
| 84 | F | 96.9 | Very high | 91.6 | Very high | 1 Ų | 1 | 58.2 Ų | 58.2 | 0% | 0.004 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 142.5 | -173.3 | -62.5 | -92.9 | 0 | 0 | 0 | 110.9 | V64 Y75 F79 S80 A81 L95 T96 I97 | V64-F84 HydrophobicContact CG1-CD1 3.94Å; V64-F84 HydrophobicContact CG1-CE1 4.31Å; V64-F84 HydrophobicContact CG1-CG 4.22Å; Y75-F84 HydrophobicContact CD1-CB 4.42Å; Y75-F84 HydrophobicContact CE1-CB 3.72Å; Y75-F84 PolarHBondContact OH-O 3.27Å; F79-F84 HydrophobicContact CB-CD2 4.45Å; F79-F84 AromaticContact CD1-CD2 4Å; F79-F84 HydrophobicContact CD1-CD2 4Å; F79-F84 HydrophobicContact CD1-CE1 4.3Å; F79-F84 AromaticContact CD1-CE2 3.54Å; F79-F84 HydrophobicContact CD1-CE2 3.54Å; F79-F84 AromaticContact CD1-CZ 3.71Å; F79-F84 HydrophobicContact CD1-CZ 3.71Å; F79-F84 HydrophobicContact CE1-CE2 4.21Å; F79-F84 AromaticContact CE1-CZ 3.95Å; F79-F84 HydrophobicContact CE1-CZ 3.95Å; S80-F84 PolarHBondContact O-N 2.84Å; A81-F84 WeakPolarHBondContact CA-O 3.38Å; F84-L95 HydrophobicContact CB-CD1 4.46Å; F84-L95 HydrophobicContact CD1-CD1 4.26Å; F84-T96 CarbonylContact C-O 3.5Å; F84-T96 VanDerWaalsContact CA-O 3.28Å; F84-T96 WeakPolarHBondContact CA-O 3.4Å; F84-I97 HydrophobicContact CD1-CG1 3.89Å; F84-I97 HydrophobicContact CE1-CD1 4.31Å; F84-I97 HydrophobicContact CE1-CG1 3.68Å; F84-I97 HydrophobicContact CE1-CG2 4.47Å |
| 85 | N | 95.8 | Very high | 91.7 | Very high | 73 Ų | 73 | 53.7 Ų | 53.7 | 39% | 0.39 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 130 | 171 | -178.5 | 22.6 | 0 | 0 | 0 | 109.5 | T96 L98 | N85-T96 PolarHBondContact N-O 3.14Å; N85-T96 PolarHBondContact O-N 3.39Å; N85-L98 HydrophobicContact CB-CD2 4.36Å |
| 86 | T | 94.9 | Very high | 91.7 | Very high | 4 Ų | 4 | 52.4 Ų | 52.4 | 3% | 0.025 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 126.9 | -179.1 | -51.8 | 0 | 0 | 0 | 0 | 109.9 | S65 L67 N94 L95 | S65-T86 PolarHBondContact OG-OG1 2.93Å; L67-T86 HydrophobicContact CD1-CG2 3.99Å; L67-T86 HydrophobicContact CD2-CG2 3.53Å; L67-T86 HydrophobicContact CG-CG2 4.42Å; T86-N94 CarbonylContact C-O 3.56Å; T86-N94 VanDerWaalsContact CA-O 3.29Å; T86-N94 WeakPolarHBondContact CA-O 3.33Å; T86-L95 WeakPolarHBondContact OG1-CD1 3.38Å |
| 87 | T | 91.9 | Very high | 91.8 | Very high | 62 Ų | 62 | 52 Ų | 52 | 38% | 0.38 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 151.6 | 173.1 | 67.2 | 0 | 0 | 0 | 0 | 110.5 | S93 N94 | T87-S93 CarbonylContact O-C 3.47Å; T87-S93 WeakPolarHBondContact O-CA 3.14Å; T87-S93 WeakPolarHBondContact O-CB 3.47Å; T87-S93 PolarHBondContact O-OG 3.46Å; T87-N94 PolarHBondContact N-O 3.32Å; T87-N94 PolarHBondContact O-N 3.49Å |
| 88 | Y | 87.8 | Confident | 92 | Very high | 16 Ų | 16 | 49.8 Ų | 49.8 | 6% | 0.063 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 116.2 | -179.9 | 174.4 | -149.2 | 0 | 0 | 0 | 109.7 | L40 L50 L67 K69 | L40-Y88 HydrophobicContact CD1-CD2 3.93Å; L40-Y88 HydrophobicContact CD1-CE2 3.36Å; L50-Y88 HydrophobicContact CB-CD1 4.11Å; L50-Y88 HydrophobicContact CB-CE1 4.19Å; L50-Y88 HydrophobicContact CD1-CD2 4.17Å; L50-Y88 HydrophobicContact CD1-CE2 4.31Å; L50-Y88 HydrophobicContact CD1-CG 4.45Å; L67-Y88 HydrophobicContact CG-CD1 4.26Å; L67-Y88 HydrophobicContact CG-CG 4.49Å; K69-Y88 VanDerWaalsContact CA-CD1 3.47Å; K69-Y88 HydrophobicContact CB-CD1 4.09Å; K69-Y88 HydrophobicContact CB-CE1 3.77Å; K69-Y88 VanDerWaalsContact N-CD1 3.33Å |
| 89 | D | 80.1 | Confident | 92.2 | Very high | 58 Ų | 58 | 52.9 Ų | 52.9 | 31% | 0.31 | 28% | 0.282 | S | S | . | . | trans | -116.2 | -175.4 | 172.8 | 68.3 | 41.1 | 0 | 0 | 0 | 111.2 | K91 M92 | D89-K91 PolarHBondContact O-N 2.94Å; D89-K91 WeakPolarHBondContact OD1-CA 3.31Å; D89-K91 PolarHBondContact OD1-N 3.45Å; D89-M92 PolarHBondContact N-O 2.82Å; D89-M92 PolarHBondContact OD1-N 3.19Å | ||
| 90 | D | 74.8 | Confident | 92.1 | Very high | 79 Ų | 79 | 51.7 Ų | 51.7 | 42% | 0.422 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -63.7 | -21.1 | -176.9 | -79.2 | -48 | 0 | 0 | 0 | 115.6 | K69 | K69-D90 WeakPolarHBondContact CE-OD1 3.13Å; K69-D90 VanDerWaalsContact CE-OD2 3.26Å; K69-D90 WeakPolarHBondContact CE-OD2 2.99Å; K69-D90 IonicContact NZ-OD1 2.55Å; K69-D90 PolarHBondContact NZ-OD1 2.64Å; K69-D90 IonicContact NZ-OD2 2.69Å; K69-D90 PolarHBondContact NZ-OD2 3.4Å |
| 91 | K | 80.1 | Confident | 92 | Very high | 157 Ų | 157 | 50.9 Ų | 50.9 | 68% | 0.683 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -114.2 | -27.4 | -169.4 | -63.7 | -176.7 | 179.4 | -176.8 | 0 | 112.3 | L40 D89 | L40-K91 WeakPolarHBondContact CB-O 3.49Å; L40-K91 PolarHBondContact N-O 2.88Å; D89-K91 PolarHBondContact O-N 2.94Å; D89-K91 WeakPolarHBondContact OD1-CA 3.31Å; D89-K91 PolarHBondContact OD1-N 3.45Å |
| 92 | M | 86.8 | Confident | 91.7 | Very high | 67 Ų | 67 | 52 Ų | 52 | 33% | 0.33 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 159.7 | -177.9 | 58.9 | -177.6 | 175.9 | 0 | 0 | 113 | T37 C38 D89 | T37-M92 HydrophobicContact CG2-CB 4.24Å; T37-M92 HydrophobicContact CG2-SD 3.96Å; C38-M92 CarbonylContact O-C 3.54Å; C38-M92 WeakPolarHBondContact O-CA 3.31Å; C38-M92 VanDerWaalsContact O-CB 3.28Å; C38-M92 WeakPolarHBondContact O-CB 3.05Å; D89-M92 PolarHBondContact N-O 2.82Å; D89-M92 PolarHBondContact OD1-N 3.19Å |
| 93 | S | 90.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 141.7 | 161.3 | -179.3 | 0 | 0 | 0 | 0 | 110.3 | C38 L50 W52 T87 | C38-S93 PolarHBondContact N-O 2.99Å; C38-S93 PolarHBondContact O-N 3.33Å; L50-S93 VanDerWaalsContact CD1-CB 3.4Å; L50-S93 VanDerWaalsContact CD2-OG 3.32Å; L50-S93 WeakPolarHBondContact CD2-OG 3.49Å; W52-S93 PolarHBondContact NE1-OG 3.08Å; T87-S93 CarbonylContact O-C 3.47Å; T87-S93 WeakPolarHBondContact O-CA 3.14Å; T87-S93 WeakPolarHBondContact O-CB 3.47Å; T87-S93 PolarHBondContact O-OG 3.46Å |
| 94 | N | 93.5 | Very high | 91.3 | Very high | 25 Ų | 25 | 50.5 Ų | 50.5 | 13% | 0.134 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 128.4 | 178.2 | -68 | -43.7 | 0 | 0 | 0 | 109.6 | T35 V36 T37 T86 T87 | T35-N94 HydrophobicContact CG2-CB 3.73Å; V36-N94 WeakPolarHBondContact O-CA 3.49Å; T37-N94 WeakPolarHBondContact CA-OD1 3.21Å; T37-N94 VanDerWaalsContact CB-OD1 3.27Å; T37-N94 WeakPolarHBondContact CB-OD1 3.5Å; T37-N94 VanDerWaalsContact CG2-OD1 3.22Å; T37-N94 WeakPolarHBondContact CG2-OD1 3.35Å; T37-N94 PolarHBondContact OG1-OD1 3.23Å; T86-N94 CarbonylContact C-O 3.56Å; T86-N94 VanDerWaalsContact CA-O 3.29Å; T86-N94 WeakPolarHBondContact CA-O 3.33Å; T87-N94 PolarHBondContact N-O 3.32Å; T87-N94 PolarHBondContact O-N 3.49Å |
| 95 | L | 96.1 | Very high | 91 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 115.2 | 167.4 | 177.1 | 69.4 | 0 | 0 | 0 | 108.8 | T35 V36 W52 V64 F84 T86 Y108 | T35-L95 CarbonylContact C-O 3.58Å; T35-L95 WeakPolarHBondContact CA-O 3.33Å; V36-L95 PolarHBondContact N-O 2.86Å; V36-L95 PolarHBondContact O-N 3.37Å; W52-L95 HydrophobicContact CB-CD2 4.22Å; W52-L95 HydrophobicContact CD2-CB 3.65Å; W52-L95 HydrophobicContact CD2-CD2 3.96Å; W52-L95 HydrophobicContact CD2-CG 4.35Å; W52-L95 HydrophobicContact CE3-CB 3.98Å; W52-L95 HydrophobicContact CE3-CD2 3.82Å; W52-L95 HydrophobicContact CG-CB 4.09Å; W52-L95 HydrophobicContact CG-CD2 4.16Å; W52-L95 HydrophobicContact CG-CG 4.49Å; W52-L95 HydrophobicContact CH2-CB 4.21Å; W52-L95 HydrophobicContact CZ2-CB 3.91Å; W52-L95 HydrophobicContact CZ3-CB 4.25Å; W52-L95 HydrophobicContact CZ3-CD2 4.49Å; V64-L95 HydrophobicContact CG1-CD1 3.9Å; V64-L95 HydrophobicContact CG1-CD2 4.16Å; F84-L95 HydrophobicContact CB-CD1 4.46Å; F84-L95 HydrophobicContact CD1-CD1 4.26Å; T86-L95 WeakPolarHBondContact OG1-CD1 3.38Å; L95-Y108 HydrophobicContact CD2-CD1 3.48Å; L95-Y108 VanDerWaalsContact CD2-CD1 3.48Å; L95-Y108 HydrophobicContact CD2-CE1 3.84Å |
| 96 | T | 97.3 | Very high | 90.7 | Very high | 26 Ų | 26 | 49.2 Ų | 49.2 | 16% | 0.16 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 126.1 | 179.3 | -56.1 | 0 | 0 | 0 | 0 | 110.4 | V34 T35 F84 N85 L98 | V34-T96 CarbonylContact O-C 3.54Å; V34-T96 VanDerWaalsContact O-CA 3.29Å; V34-T96 WeakPolarHBondContact O-CA 3Å; T35-T96 PolarHBondContact OG1-OG1 3.41Å; F84-T96 CarbonylContact C-O 3.5Å; F84-T96 VanDerWaalsContact CA-O 3.28Å; F84-T96 WeakPolarHBondContact CA-O 3.4Å; N85-T96 PolarHBondContact N-O 3.14Å; N85-T96 PolarHBondContact O-N 3.39Å; T96-L98 HydrophobicContact CG2-CD2 4.26Å |
| 97 | I | 97.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 117 | 168.4 | -55.9 | 167.3 | 0 | 0 | 0 | 106.1 | P33 V34 F84 K99 D104 Y108 L125 | P33-I97 CarbonylContact C-O 3.56Å; P33-I97 WeakPolarHBondContact CA-O 3.45Å; V34-I97 HydrophobicContact CG1-CB 3.87Å; V34-I97 HydrophobicContact CG1-CD1 3.96Å; V34-I97 HydrophobicContact CG1-CG1 4.29Å; V34-I97 PolarHBondContact N-O 3.14Å; V34-I97 PolarHBondContact O-N 2.99Å; F84-I97 HydrophobicContact CD1-CG1 3.89Å; F84-I97 HydrophobicContact CE1-CD1 4.31Å; F84-I97 HydrophobicContact CE1-CG1 3.68Å; F84-I97 HydrophobicContact CE1-CG2 4.47Å; I97-K99 VanDerWaalsContact C-N 3.33Å; I97-K99 PolarHBondContact O-N 2.8Å; I97-D104 HydrophobicContact CD1-CB 4.22Å; I97-Y108 HydrophobicContact CD1-CE1 4.22Å; I97-Y108 HydrophobicContact CD1-CE2 4.33Å; I97-Y108 WeakPolarHBondContact CD1-OH 3.45Å; I97-L125 HydrophobicContact CD1-CD2 3.4Å |
| 98 | L | 97.2 | Very high | 90.5 | Very high | 80 Ų | 80 | 46.3 Ų | 46.3 | 42% | 0.419 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -71 | -31.6 | -171.5 | -60.9 | 177.9 | 0 | 0 | 0 | 112.4 | R83 N85 T96 | R83-L98 PolarHBondContact O-N 2.82Å; N85-L98 HydrophobicContact CB-CD2 4.36Å; T96-L98 HydrophobicContact CG2-CD2 4.26Å |
| 99 | K | 96.2 | Very high | 90.6 | Very high | 147 Ų | 147 | 45.9 Ų | 45.9 | 64% | 0.639 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -147.6 | 101.8 | 178.9 | -171.8 | 176.4 | -176.1 | 177.2 | 0 | 109.4 | I97 S101 | I97-K99 VanDerWaalsContact C-N 3.33Å; I97-K99 PolarHBondContact O-N 2.8Å; K99-S101 PolarHBondContact O-N 3.22Å |
| 100 | A | 94.3 | Very high | 91 | Very high | 3 Ų | 3 | 43.3 Ų | 43.3 | 3% | 0.025 | 22% | 0.217 | C | C | . | . | trans | -62.2 | 132.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | V28 G31 Q32 L127 | V28-A100 HydrophobicContact CG1-CB 3.85Å; V28-A100 HydrophobicContact CG2-CB 4.14Å; G31-A100 PolarHBondContact N-O 3.32Å; Q32-A100 VanDerWaalsContact O-CB 3.24Å; Q32-A100 WeakPolarHBondContact O-CB 3.43Å; Q32-A100 PolarHBondContact O-N 2.73Å; A100-L127 HydrophobicContact CB-CD2 4.09Å | ||
| 101 | S | 93.1 | Very high | 91.6 | Very high | 32 Ų | 32 | 39.7 Ų | 39.7 | 22% | 0.224 | 20% | 0.198 | C | C | . | . | trans | -124.2 | 166.9 | 174.8 | 71 | 0 | 0 | 0 | 0 | 110.9 | R83 K99 E103 D104 L127 | R83-S101 PolarHBondContact NH1-OG 2.8Å; K99-S101 PolarHBondContact O-N 3.22Å; S101-E103 PolarHBondContact O-N 2.74Å; S101-D104 WeakPolarHBondContact CB-OD2 3.43Å; S101-D104 PolarHBondContact N-OD2 3.33Å; S101-D104 WeakPolarHBondContact O-CB 3.24Å; S101-D104 PolarHBondContact O-N 3.02Å; S101-D104 PolarHBondContact OG-OD2 3Å; S101-L127 WeakPolarHBondContact O-CD1 3.37Å | ||
| 102 | T | 88.7 | Confident | 91.5 | Very high | 92 Ų | 92 | 32.3 Ų | 32.3 | 56% | 0.564 | 17% | 0.166 | S | C | * | . | G | 310 helix | trans | -54.9 | -33.9 | 177.2 | 47 | 0 | 0 | 0 | 0 | 113.2 | L30 D104 E105 | L30-T102 HydrophobicContact CD2-CG2 4.02Å; T102-D104 PolarHBondContact O-N 2.76Å; T102-E105 PolarHBondContact O-N 2.83Å |
| 103 | E | 90.4 | Very high | 90.7 | Very high | 139 Ų | 139 | 33 Ų | 33 | 65% | 0.65 | 17% | 0.17 | S | C | * | . | G | 310 helix | trans | -68.3 | -22 | 178.6 | -64.6 | 177.8 | -173 | 0 | 0 | 112.6 | K54 S101 E105 | K54-E103 WeakPolarHBondContact CE-O 3.34Å; K54-E103 PolarHBondContact NZ-O 2.65Å; S101-E103 PolarHBondContact O-N 2.74Å; E103-E105 VanDerWaalsContact C-N 3.33Å |
| 104 | D | 93.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -82 | -8.4 | -175.4 | -58.4 | -48.3 | 0 | 0 | 0 | 113.2 | K54 R83 I97 S101 T102 G106 Y108 L125 | K54-D104 IonicContact NZ-OD1 3.45Å; R83-D104 IonicContact CZ-OD1 3.87Å; R83-D104 IonicContact CZ-OD2 3.46Å; R83-D104 IonicContact NH1-OD1 2.91Å; R83-D104 PolarHBondContact NH1-OD1 2.76Å; R83-D104 IonicContact NH1-OD2 2.93Å; R83-D104 PolarHBondContact NH1-OD2 2.8Å; R83-D104 IonicContact NH2-OD1 3.89Å; R83-D104 PolarHBondContact NH2-OD1 3.03Å; R83-D104 IonicContact NH2-OD2 3.61Å; I97-D104 HydrophobicContact CD1-CB 4.22Å; S101-D104 WeakPolarHBondContact CB-OD2 3.43Å; S101-D104 PolarHBondContact N-OD2 3.33Å; S101-D104 WeakPolarHBondContact O-CB 3.24Å; S101-D104 PolarHBondContact O-N 3.02Å; S101-D104 PolarHBondContact OG-OD2 3Å; T102-D104 PolarHBondContact O-N 2.76Å; D104-G106 PolarHBondContact O-N 3.46Å; D104-Y108 WeakPolarHBondContact O-CE2 3.49Å; D104-Y108 PolarHBondContact O-OH 3.45Å; D104-Y108 VanDerWaalsContact O-OH 3.04Å; D104-L125 HydrophobicContact CB-CD2 4.43Å; D104-L125 WeakPolarHBondContact O-CD2 3.44Å |
| 105 | E | 91.4 | Very high | 88 | Confident | 44 Ų | 44 | 44.8 Ų | 44.8 | 21% | 0.206 | 22% | 0.215 | C | C | . | . | trans | -62.6 | 127.9 | 171.7 | -173.8 | 168.6 | -158.3 | 0 | 0 | 110.9 | K2 T102 E103 Y124 L125 L127 | K2-E105 WeakPolarHBondContact CE-OE1 3.32Å; K2-E105 IonicContact NZ-OE1 2.68Å; K2-E105 PolarHBondContact NZ-OE1 3.28Å; K2-E105 IonicContact NZ-OE2 2.73Å; K2-E105 PolarHBondContact NZ-OE2 3.46Å; T102-E105 PolarHBondContact O-N 2.83Å; E103-E105 VanDerWaalsContact C-N 3.33Å; E105-Y124 VanDerWaalsContact CD-OH 3.32Å; E105-Y124 WeakPolarHBondContact CG-OH 3.42Å; E105-Y124 PolarHBondContact OE1-OH 3.31Å; E105-L125 WeakPolarHBondContact CG-O 3.46Å; E105-L127 HydrophobicContact CB-CD1 3.85Å; E105-L127 HydrophobicContact CB-CG 4.05Å | ||
| 106 | G | 89.6 | Confident | 86.4 | Confident | 2 Ų | 2 | 52.8 Ų | 52.8 | 2% | 0.021 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 161 | -178.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | D104 L125 | D104-G106 PolarHBondContact O-N 3.46Å; G106-L125 PolarHBondContact N-O 3.48Å; G106-L125 PolarHBondContact O-N 2.95Å |
| 107 | M | 89.3 | Confident | 84.8 | Confident | 4 Ų | 4 | 55.5 Ų | 55.5 | 2% | 0.02 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 133 | 173.1 | -71.6 | -64.6 | -69.6 | 0 | 0 | 110.2 | P23 K54 Q55 H109 Y124 | P23-M107 HydrophobicContact CB-CE 3.89Å; P23-M107 HydrophobicContact CG-CE 4.11Å; K54-M107 CarbonylContact C-O 3.54Å; K54-M107 WeakPolarHBondContact CA-O 3.39Å; Q55-M107 HydrophobicContact CB-CB 4.22Å; Q55-M107 PolarHBondContact N-O 2.89Å; Q55-M107 PolarHBondContact O-N 3.04Å; M107-H109 WeakPolarHBondContact CB-NE2 3.01Å; M107-Y124 HydrophobicContact CG-CD2 3.98Å; M107-Y124 VanDerWaalsContact SD-CB 3.56Å; M107-Y124 HydrophobicContact SD-CD2 3.57Å; M107-Y124 VanDerWaalsContact SD-CD2 3.57Å; M107-Y124 HydrophobicContact SD-CG 4.04Å |
| 108 | Y | 92.6 | Very high | 83.3 | Confident | 1 Ų | 1 | 58.3 Ų | 58.3 | 0% | 0.004 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 126.5 | 173.5 | -73.4 | -95.4 | 0 | 0 | 0 | 109 | V36 Y53 K54 L95 I97 D104 G122 A123 L125 | V36-Y108 HydrophobicContact CG2-CG 4.48Å; Y53-Y108 CarbonylContact O-C 3.58Å; Y53-Y108 WeakPolarHBondContact O-CA 3.48Å; K54-Y108 HydrophobicContact CB-CD1 4.27Å; K54-Y108 HydrophobicContact CB-CE1 4.06Å; K54-Y108 HydrophobicContact CD-CE1 4.09Å; K54-Y108 HydrophobicContact CG-CD1 4.48Å; K54-Y108 HydrophobicContact CG-CE1 4.01Å; K54-Y108 HydrophobicContact CG-CE2 4.43Å; L95-Y108 HydrophobicContact CD2-CD1 3.48Å; L95-Y108 VanDerWaalsContact CD2-CD1 3.48Å; L95-Y108 HydrophobicContact CD2-CE1 3.84Å; I97-Y108 HydrophobicContact CD1-CE1 4.22Å; I97-Y108 HydrophobicContact CD1-CE2 4.33Å; I97-Y108 WeakPolarHBondContact CD1-OH 3.45Å; D104-Y108 WeakPolarHBondContact O-CE2 3.49Å; D104-Y108 PolarHBondContact O-OH 3.45Å; D104-Y108 VanDerWaalsContact O-OH 3.04Å; Y108-G122 CarbonylContact O-C 3.58Å; Y108-G122 VanDerWaalsContact O-CA 3.25Å; Y108-G122 WeakPolarHBondContact O-CA 3.22Å; Y108-A123 PolarHBondContact N-O 2.88Å; Y108-A123 PolarHBondContact O-N 3.04Å; Y108-L125 HydrophobicContact CD2-CB 3.87Å; Y108-L125 HydrophobicContact CE2-CB 3.73Å; Y108-L125 HydrophobicContact CE2-CD2 3.89Å; Y108-L125 HydrophobicContact CE2-CG 4.48Å |
| 109 | H | 90.5 | Very high | 82.2 | Confident | 8 Ų | 8 | 56.4 Ų | 56.4 | 4% | 0.037 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 133.1 | -177 | -55.2 | -92.9 | 0 | 0 | 0 | 110.3 | W52 Y53 L61 M107 W120 S121 | W52-H109 CarbonylContact C-O 3.53Å; W52-H109 WeakPolarHBondContact CA-O 3.23Å; Y53-H109 PolarHBondContact N-O 3.3Å; Y53-H109 PolarHBondContact O-N 3.06Å; L61-H109 VanDerWaalsContact CD2-CD2 3.49Å; L61-H109 WeakPolarHBondContact CD2-CD2 3.44Å; M107-H109 WeakPolarHBondContact CB-NE2 3.01Å; H109-W120 HydrophobicContact CB-CH2 4.08Å; H109-W120 HydrophobicContact CB-CZ2 3.33Å; H109-W120 AromaticContact CG-CE2 3.83Å; H109-W120 AromaticContact CG-CZ2 3.57Å; H109-W120 AromaticContact CG-NE1 3.77Å; H109-W120 AromaticContact ND1-CE2 3.68Å; H109-W120 AromaticContact ND1-CZ2 3.82Å; H109-W120 AromaticContact ND1-NE1 3.13Å; H109-W120 PolarHBondContact ND1-NE1 3.46Å; H109-W120 VanDerWaalsContact ND1-NE1 3.13Å; H109-S121 CarbonylContact C-O 3.51Å; H109-S121 VanDerWaalsContact CA-O 3.27Å; H109-S121 WeakPolarHBondContact CA-O 3.48Å |
| 110 | C | 89 | Confident | 81.3 | Confident | 4 Ų | 4 | 53.6 Ų | 53.6 | 3% | 0.027 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 137.3 | 164.4 | 61.6 | 0 | 0 | 0 | 0 | 109.3 | C38 Y51 W52 W120 S121 | C38-C110 HydrophobicContact CB-CB 3.49Å; C38-C110 VanDerWaalsContact CB-CB 3.49Å; C38-C110 WeakPolarHBondContact CB-SG 3.21Å; C38-C110 WeakPolarHBondContact SG-CB 3.49Å; C38-C110 CovalentContact SG-SG 2.02Å; C38-C110 PolarHBondContact SG-SG 2.96Å; Y51-C110 CarbonylContact O-C 3.56Å; Y51-C110 WeakPolarHBondContact O-CA 2.89Å; W52-C110 HydrophobicContact CD2-CB 4.18Å; W52-C110 HydrophobicContact CE3-CB 4.11Å; W52-C110 HydrophobicContact CH2-CB 3.91Å; W52-C110 HydrophobicContact CZ2-CB 3.97Å; W52-C110 HydrophobicContact CZ3-CB 3.98Å; C110-W120 WeakPolarHBondContact O-CA 3.15Å; C110-S121 PolarHBondContact N-O 2.93Å; C110-S121 PolarHBondContact O-N 2.97Å |
| 111 | A | 86.1 | Confident | 80.8 | Confident | 2 Ų | 2 | 56.3 Ų | 56.3 | 2% | 0.017 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 133.2 | 178 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y51 Y53 W120 | Y51-A111 PolarHBondContact N-O 2.91Å; Y51-A111 PolarHBondContact O-N 3.14Å; Y53-A111 HydrophobicContact CE2-CB 4.2Å; A111-W120 HydrophobicContact CB-CD2 4.34Å; A111-W120 HydrophobicContact CB-CE3 3.25Å; A111-W120 HydrophobicContact CB-CH2 4.28Å; A111-W120 HydrophobicContact CB-CZ3 3.22Å |
| 112 | Y | 78.4 | Confident | 80.4 | Confident | 3 Ų | 3 | 55.5 Ų | 55.5 | 1% | 0.012 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 130.1 | 169.6 | 178.5 | -103.1 | 0 | 0 | 0 | 109.4 | L40 L44 S46 W49 N114 T118 M119 | L40-Y112 HydrophobicContact CD2-CG 4.41Å; L44-Y112 HydrophobicContact CB-CD1 4.19Å; L44-Y112 HydrophobicContact CB-CE1 3.61Å; L44-Y112 HydrophobicContact CD1-CD1 3.8Å; L44-Y112 HydrophobicContact CD1-CE1 4.07Å; L44-Y112 HydrophobicContact CD2-CD1 3.88Å; L44-Y112 HydrophobicContact CD2-CE1 3.55Å; L44-Y112 HydrophobicContact CG-CD1 4.15Å; L44-Y112 HydrophobicContact CG-CE1 3.9Å; L44-Y112 PolarHBondContact O-OH 3.04Å; S46-Y112 PolarHBondContact O-OH 3.35Å; W49-Y112 WeakPolarHBondContact O-CD2 3.44Å; Y112-N114 HydrophobicContact CD1-CB 4.48Å; Y112-N114 HydrophobicContact CE1-CB 3.63Å; Y112-T118 WeakPolarHBondContact O-CA 3.39Å; Y112-M119 PolarHBondContact N-O 3.37Å; Y112-M119 PolarHBondContact O-N 3.28Å |
| 113 | L | 69.3 | Low | 80.3 | Confident | 80 Ų | 80 | 51.4 Ų | 51.4 | 42% | 0.419 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 112.9 | 178.2 | -72.8 | 83.7 | 0 | 0 | 0 | 108.8 | S48 Y51 T118 | S48-L113 WeakPolarHBondContact CB-O 3.41Å; S48-L113 PolarHBondContact OG-O 2.65Å; Y51-L113 HydrophobicContact CD2-CD1 4.32Å; Y51-L113 HydrophobicContact CE2-CD1 4.25Å; L113-T118 HydrophobicContact CG-CG2 4.23Å |
| 114 | N | 66.8 | Low | 80.1 | Confident | 24 Ų | 24 | 46.5 Ų | 46.5 | 13% | 0.128 | 23% | 0.226 | C | C | . | . | trans | -108 | 163.3 | 163.4 | -158.6 | -5.8 | 0 | 0 | 0 | 110.2 | L44 Y112 L116 Q117 | L44-N114 HydrophobicContact CD2-CB 4.45Å; Y112-N114 HydrophobicContact CD1-CB 4.48Å; Y112-N114 HydrophobicContact CE1-CB 3.63Å; N114-L116 PolarHBondContact O-N 2.95Å; N114-Q117 PolarHBondContact N-O 3.31Å; N114-Q117 PolarHBondContact O-N 3.49Å | ||
| 115 | W | 61.1 | Low | 79.9 | Confident | 250 Ų | 250 | 46.5 Ų | 46.5 | 95% | 0.947 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -53.6 | -27.4 | 175.9 | -65.7 | 99.8 | 0 | 0 | 0 | 113.8 | ||
| 116 | L | 62 | Low | 79.7 | Confident | 167 Ų | 167 | 45.7 Ų | 45.7 | 87% | 0.874 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -102.1 | -27.2 | -176.9 | -64.7 | 169.9 | 0 | 0 | 0 | 113.8 | N114 | N114-L116 PolarHBondContact O-N 2.95Š|
| 117 | Q | 64 | Low | 79.6 | Confident | 84 Ų | 84 | 46.7 Ų | 46.7 | 39% | 0.393 | 23% | 0.231 | S | C | . | . | trans | -157 | 136 | -171.3 | -165.8 | 172.8 | 24.8 | 0 | 0 | 111.7 | N114 | N114-Q117 PolarHBondContact N-O 3.31Å; N114-Q117 PolarHBondContact O-N 3.49Å | ||
| 118 | T | 67.1 | Low | 79 | Confident | 59 Ų | 59 | 51.7 Ų | 51.7 | 36% | 0.362 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 131.9 | 164.5 | -56.7 | 0 | 0 | 0 | 0 | 108.5 | Q18 Y112 L113 | Q18-T118 PolarHBondContact NE2-O 2.8Å; Y112-T118 WeakPolarHBondContact O-CA 3.39Å; L113-T118 HydrophobicContact CG-CG2 4.23Å |
| 119 | M | 72.4 | Confident | 77.8 | Confident | 40 Ų | 40 | 55.2 Ų | 55.2 | 20% | 0.197 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 132.5 | 171.6 | -168.6 | 163.1 | 72.4 | 0 | 0 | 109.5 | L40 L44 Y112 | L40-M119 HydrophobicContact CB-CE 4.34Å; L40-M119 HydrophobicContact CD2-CE 3.92Å; L40-M119 HydrophobicContact CG-CE 4.48Å; L44-M119 HydrophobicContact CD1-CE 3.61Å; L44-M119 HydrophobicContact CD1-SD 4.29Å; Y112-M119 PolarHBondContact N-O 3.37Å; Y112-M119 PolarHBondContact O-N 3.28Å |
| 120 | W | 78.3 | Confident | 75.9 | Confident | 88 Ų | 88 | 60.6 Ų | 60.6 | 33% | 0.333 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 130.2 | 179.7 | -170.4 | -94 | 0 | 0 | 0 | 108.4 | Y53 L61 H109 C110 A111 | Y53-W120 AromaticContact CD2-CH2 3.65Å; Y53-W120 HydrophobicContact CD2-CH2 3.65Å; Y53-W120 HydrophobicContact CD2-CZ3 4.08Å; Y53-W120 HydrophobicContact CE2-CH2 4.1Å; Y53-W120 HydrophobicContact CE2-CZ3 4.15Å; Y53-W120 HydrophobicContact CG-CH2 4.35Å; L61-W120 HydrophobicContact CD1-CH2 4.4Å; L61-W120 HydrophobicContact CD1-CZ2 4.32Å; L61-W120 HydrophobicContact CD2-CZ2 4.28Å; H109-W120 HydrophobicContact CB-CH2 4.08Å; H109-W120 HydrophobicContact CB-CZ2 3.33Å; H109-W120 AromaticContact CG-CE2 3.83Å; H109-W120 AromaticContact CG-CZ2 3.57Å; H109-W120 AromaticContact CG-NE1 3.77Å; H109-W120 AromaticContact ND1-CE2 3.68Å; H109-W120 AromaticContact ND1-CZ2 3.82Å; H109-W120 AromaticContact ND1-NE1 3.13Å; H109-W120 PolarHBondContact ND1-NE1 3.46Å; H109-W120 VanDerWaalsContact ND1-NE1 3.13Å; C110-W120 WeakPolarHBondContact O-CA 3.15Å; A111-W120 HydrophobicContact CB-CD2 4.34Å; A111-W120 HydrophobicContact CB-CE3 3.25Å; A111-W120 HydrophobicContact CB-CH2 4.28Å; A111-W120 HydrophobicContact CB-CZ3 3.22Å |
| 121 | S | 82.8 | Confident | 74.2 | Confident | 59 Ų | 59 | 69.1 Ų | 69.1 | 41% | 0.413 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 149.9 | 174.1 | -177.4 | 0 | 0 | 0 | 0 | 109.9 | H109 C110 | H109-S121 CarbonylContact C-O 3.51Å; H109-S121 VanDerWaalsContact CA-O 3.27Å; H109-S121 WeakPolarHBondContact CA-O 3.48Å; C110-S121 PolarHBondContact N-O 2.93Å; C110-S121 PolarHBondContact O-N 2.97Å |
| 122 | G | 86 | Confident | 72.6 | Confident | 16 Ų | 16 | 79.8 Ų | 79.8 | 17% | 0.165 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 146.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | P23 Y108 | P23-G122 WeakPolarHBondContact CA-O 3.42Å; P23-G122 VanDerWaalsContact CB-O 3.26Å; P23-G122 WeakPolarHBondContact CB-O 3.45Å; Y108-G122 CarbonylContact O-C 3.58Å; Y108-G122 VanDerWaalsContact O-CA 3.25Å; Y108-G122 WeakPolarHBondContact O-CA 3.22Å |
| 123 | A | 85.7 | Confident | 71 | Confident | 5 Ų | 5 | 85.5 Ų | 85.5 | 4% | 0.041 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 140.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | Q24 I26 V36 Y108 | Q24-A123 HydrophobicContact CB-CB 4.28Å; Q24-A123 CarbonylContact O-C 3.43Å; Q24-A123 WeakPolarHBondContact O-CA 3.35Å; Q24-A123 WeakPolarHBondContact O-CB 3.49Å; I26-A123 HydrophobicContact CD1-CB 4.02Å; V36-A123 HydrophobicContact CG1-CB 3.67Å; Y108-A123 PolarHBondContact N-O 2.88Å; Y108-A123 PolarHBondContact O-N 3.04Å |
| 124 | Y | 86.5 | Confident | 70.4 | Confident | 36 Ų | 36 | 83.3 Ų | 83.3 | 14% | 0.141 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 120.8 | 173.1 | -173.6 | -103.6 | 0 | 0 | 0 | 109.6 | K2 Q24 V25 I26 E105 M107 | K2-Y124 WeakPolarHBondContact CD-OH 3.28Å; K2-Y124 WeakPolarHBondContact CE-OH 3.37Å; Q24-Y124 PolarHBondContact O-N 2.89Å; V25-Y124 WeakPolarHBondContact CA-O 3.34Å; V25-Y124 HydrophobicContact CG1-CD1 4.46Å; I26-Y124 PolarHBondContact N-O 3.13Å; E105-Y124 VanDerWaalsContact CD-OH 3.32Å; E105-Y124 WeakPolarHBondContact CG-OH 3.42Å; E105-Y124 PolarHBondContact OE1-OH 3.31Å; M107-Y124 HydrophobicContact CG-CD2 3.98Å; M107-Y124 VanDerWaalsContact SD-CB 3.56Å; M107-Y124 HydrophobicContact SD-CD2 3.57Å; M107-Y124 VanDerWaalsContact SD-CD2 3.57Å; M107-Y124 HydrophobicContact SD-CG 4.04Å |
| 125 | L | 89.8 | Confident | 70.4 | Confident | 1 Ų | 1 | 86.6 Ų | 86.6 | 1% | 0.005 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 117.6 | 170.6 | -174.7 | 69.2 | 0 | 0 | 0 | 109.3 | I26 V28 V34 I97 D104 E105 G106 Y108 | I26-L125 HydrophobicContact CB-CD1 4.09Å; I26-L125 HydrophobicContact CG2-CD1 3.9Å; V28-L125 HydrophobicContact CB-CD1 4.39Å; V28-L125 HydrophobicContact CG1-CD1 3.79Å; V28-L125 HydrophobicContact CG1-CD2 4.46Å; V28-L125 HydrophobicContact CG1-CG 4.25Å; V34-L125 HydrophobicContact CB-CD1 4.36Å; V34-L125 HydrophobicContact CG1-CD1 3.9Å; V34-L125 HydrophobicContact CG1-CD2 4.04Å; V34-L125 HydrophobicContact CG2-CD1 3.68Å; I97-L125 HydrophobicContact CD1-CD2 3.4Å; D104-L125 HydrophobicContact CB-CD2 4.43Å; D104-L125 WeakPolarHBondContact O-CD2 3.44Å; E105-L125 WeakPolarHBondContact CG-O 3.46Å; G106-L125 PolarHBondContact N-O 3.48Å; G106-L125 PolarHBondContact O-N 2.95Å; Y108-L125 HydrophobicContact CD2-CB 3.87Å; Y108-L125 HydrophobicContact CE2-CB 3.73Å; Y108-L125 HydrophobicContact CE2-CD2 3.89Å; Y108-L125 HydrophobicContact CE2-CG 4.48Å |
| 126 | S | 86.9 | Confident | 71.1 | Confident | 26 Ų | 26 | 76.2 Ų | 76.2 | 18% | 0.182 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 132.2 | 177.3 | -177.2 | 0 | 0 | 0 | 0 | 110.5 | I26 R27 V28 | I26-S126 PolarHBondContact O-N 2.95Å; R27-S126 VanDerWaalsContact CA-O 3.31Å; R27-S126 WeakPolarHBondContact CA-O 3.46Å; V28-S126 PolarHBondContact N-O 3.34Å |
| 127 | L | 86.2 | Confident | 72 | Confident | 24 Ų | 24 | 74.4 Ų | 74.4 | 13% | 0.126 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 126.1 | 175.6 | -62.5 | 171 | 0 | 0 | 0 | 109.9 | V28 L30 A100 S101 E105 E129 | V28-L127 HydrophobicContact CG1-CD2 3.63Å; V28-L127 CarbonylContact O-C 3.51Å; V28-L127 WeakPolarHBondContact O-CA 3.29Å; L30-L127 HydrophobicContact CD2-CD1 4.06Å; L30-L127 HydrophobicContact CD2-CD2 4.32Å; A100-L127 HydrophobicContact CB-CD2 4.09Å; S101-L127 WeakPolarHBondContact O-CD1 3.37Å; E105-L127 HydrophobicContact CB-CD1 3.85Å; E105-L127 HydrophobicContact CB-CG 4.05Å; L127-E129 PolarHBondContact O-N 2.84Å |
| 128 | K | 76.6 | Confident | 72.9 | Confident | 108 Ų | 108 | 71.2 Ų | 71.2 | 47% | 0.47 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 99.8 | 164.1 | -72.6 | -179 | 176.1 | 177.2 | 0 | 107.3 | R27 V28 Q29 | R27-K128 HydrophobicContact CB-CD 4.29Å; R27-K128 HydrophobicContact CB-CG 4.14Å; V28-K128 PolarHBondContact O-N 2.85Å; Q29-K128 HydrophobicContact CG-CB 4.05Å; Q29-K128 HydrophobicContact CG-CD 4.46Å |
| 129 | E | 67.4 | Low | 73.7 | Confident | 75 Ų | 75 | 71 Ų | 71 | 35% | 0.35 | 35% | 0.349 | S | S | . | . | trans | -73.8 | 130.3 | 171.9 | -161 | 166.7 | -145 | 0 | 0 | 109.6 | L127 R131 | L127-E129 PolarHBondContact O-N 2.84Å; E129-R131 HydrophobicContact CG-CB 3.81Å; E129-R131 HydrophobicContact CG-CG 3.62Å; E129-R131 PolarHBondContact O-N 2.73Å; E129-R131 WeakPolarHBondContact OE1-CD 3.25Å; E129-R131 IonicContact OE1-CZ 2.79Å; E129-R131 IonicContact OE1-NE 2.87Å; E129-R131 PolarHBondContact OE1-NE 2.68Å; E129-R131 IonicContact OE1-NH1 2.95Å; E129-R131 PolarHBondContact OE1-NH1 3.05Å; E129-R131 IonicContact OE1-NH2 3.39Å; E129-R131 PolarHBondContact OE1-NH2 2.81Å; E129-R131 WeakPolarHBondContact OE2-CD 3.35Å; E129-R131 IonicContact OE2-NH1 3.74Å | ||
| 130 | T | 52.3 | Low | 74.3 | Confident | 122 Ų | 122 | 70 Ų | 70 | 75% | 0.748 | 34% | 0.344 | S | S | * | . | trans | -82.1 | 29.3 | 169.9 | 33.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 131 | R | 53.3 | Low | 74.4 | Confident | 182 Ų | 182 | 69.8 Ų | 69.8 | 69% | 0.687 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -80 | 142 | 173.6 | -79.2 | -173.4 | -169.5 | 156.7 | 3.2 | 109 | E129 T133 | E129-R131 HydrophobicContact CG-CB 3.81Å; E129-R131 HydrophobicContact CG-CG 3.62Å; E129-R131 PolarHBondContact O-N 2.73Å; E129-R131 WeakPolarHBondContact OE1-CD 3.25Å; E129-R131 IonicContact OE1-CZ 2.79Å; E129-R131 IonicContact OE1-NE 2.87Å; E129-R131 PolarHBondContact OE1-NE 2.68Å; E129-R131 IonicContact OE1-NH1 2.95Å; E129-R131 PolarHBondContact OE1-NH1 3.05Å; E129-R131 IonicContact OE1-NH2 3.39Å; E129-R131 PolarHBondContact OE1-NH2 2.81Å; E129-R131 WeakPolarHBondContact OE2-CD 3.35Å; E129-R131 IonicContact OE2-NH1 3.74Å; R131-T133 PolarHBondContact O-N 3.49Å; R131-T133 VanDerWaalsContact O-N 3.14Å |
| 132 | R | 50.8 | Low | 73.6 | Confident | 227 Ų | 227 | 74 Ų | 74 | 86% | 0.857 | 36% | 0.359 | S | S | * | . | trans | -38.1 | 122.8 | 173 | -73.6 | 174.6 | 173.2 | 170.1 | -3.3 | 107.4 | S134 | R132-S134 VanDerWaalsContact C-N 3.27Å; R132-S134 PolarHBondContact O-N 3.44Å | ||
| 133 | T | 46.3 | Very low | 72.6 | Confident | 122 Ų | 122 | 74.6 Ų | 74.6 | 75% | 0.748 | 36% | 0.363 | S | S | * | . | trans | -46.3 | 102.5 | 167.6 | 32.1 | 0 | 0 | 0 | 0 | 106.9 | R131 N135 | R131-T133 PolarHBondContact O-N 3.49Å; R131-T133 VanDerWaalsContact O-N 3.14Å; T133-N135 PolarHBondContact O-N 2.62Å | ||
| 134 | S | 56.3 | Low | 71.4 | Confident | 34 Ų | 34 | 78.7 Ų | 78.7 | 24% | 0.238 | 39% | 0.387 | C | S | . | . | trans | -61.9 | 128.4 | 171 | -54.1 | 0 | 0 | 0 | 0 | 104.6 | R132 Y136 | R132-S134 VanDerWaalsContact C-N 3.27Å; R132-S134 PolarHBondContact O-N 3.44Å; S134-Y136 PolarHBondContact O-N 3.35Å; S134-Y136 WeakPolarHBondContact OG-CE2 3.41Å | ||
| 135 | N | 65.9 | Low | 69.9 | Low | 94 Ų | 94 | 81 Ų | 81 | 50% | 0.503 | 41% | 0.409 | S | S | . | . | trans | -74.7 | 47.5 | -178.3 | -71.9 | -22.4 | 0 | 0 | 0 | 110.5 | T133 D163 | T133-N135 PolarHBondContact O-N 2.62Å; N135-D163 WeakPolarHBondContact CB-OD2 3.39Å; N135-D163 PolarHBondContact ND2-OD2 3.46Å | ||
| 136 | Y | 75.5 | Confident | 68.1 | Low | 31 Ų | 31 | 88.6 Ų | 88.6 | 12% | 0.122 | 44% | 0.444 | C | S | . | . | trans | -79 | 125.6 | 176.9 | -58.9 | -32.9 | 0 | 0 | 0 | 108.8 | S134 F160 L161 T162 T232 C233 L237 | S134-Y136 PolarHBondContact O-N 3.35Å; S134-Y136 WeakPolarHBondContact OG-CE2 3.41Å; Y136-F160 HydrophobicContact CD1-CE2 4.46Å; Y136-F160 HydrophobicContact CD1-CZ 4.11Å; Y136-F160 HydrophobicContact CG-CE2 4.27Å; Y136-F160 HydrophobicContact CG-CZ 4.26Å; Y136-L161 WeakPolarHBondContact CA-O 3.4Å; Y136-T162 HydrophobicContact CD1-CG2 3.53Å; Y136-T162 HydrophobicContact CE1-CG2 3.83Å; Y136-T232 HydrophobicContact CD2-CG2 3.82Å; Y136-T232 HydrophobicContact CE2-CG2 4.02Å; Y136-T232 HydrophobicContact CG-CG2 4.36Å; Y136-C233 HydrophobicContact CE2-CB 4.11Å; Y136-C233 PolarHBondContact OH-SG 2.97Å; Y136-L237 HydrophobicContact CD2-CD1 4.46Å; Y136-L237 HydrophobicContact CG-CD1 4.3Å | ||
| 137 | K | 81.2 | Confident | 66.1 | Low | 129 Ų | 129 | 92.3 Ų | 92.3 | 56% | 0.561 | 47% | 0.47 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 129.7 | 178.8 | -171.9 | 177.6 | -179.2 | 178.6 | 0 | 110 | V139 L161 | K137-V139 HydrophobicContact CD-CG2 4.29Å; K137-V139 HydrophobicContact CG-CG2 4.13Å; K137-L161 HydrophobicContact CB-CB 4.2Å; K137-L161 HydrophobicContact CB-CD1 4.29Å; K137-L161 HydrophobicContact CD-CD1 4.26Å; K137-L161 HydrophobicContact CG-CD1 4.45Å; K137-L161 PolarHBondContact N-O 3.47Å; K137-L161 PolarHBondContact O-N 3.26Å |
| 138 | V | 83.3 | Confident | 64.4 | Low | 18 Ų | 18 | 95 Ų | 95 | 11% | 0.109 | 50% | 0.496 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 129.6 | 170.3 | 175.5 | 0 | 0 | 0 | 0 | 108.4 | C158 S159 F160 C228 V230 L237 | V138-C158 VanDerWaalsContact CG1-SG 3.53Å; V138-S159 CarbonylContact C-O 3.58Å; V138-S159 WeakPolarHBondContact CA-O 3.01Å; V138-F160 HydrophobicContact CG2-CD2 4.12Å; V138-C228 VanDerWaalsContact CG1-SG 3.56Å; V138-V230 HydrophobicContact CG2-CB 3.95Å; V138-V230 HydrophobicContact CG2-CG2 3.79Å; V138-L237 HydrophobicContact CB-CB 4.26Å; V138-L237 HydrophobicContact CG2-CB 3.4Å; V138-L237 VanDerWaalsContact CG2-CB 3.4Å; V138-L237 HydrophobicContact CG2-CD1 4.08Å; V138-L237 HydrophobicContact CG2-CG 4.4Å |
| 139 | V | 84.4 | Confident | 63 | Low | 54 Ų | 54 | 96.4 Ų | 96.4 | 33% | 0.327 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 115.6 | 176.8 | -178.3 | 0 | 0 | 0 | 0 | 107.8 | K137 S159 L161 | K137-V139 HydrophobicContact CD-CG2 4.29Å; K137-V139 HydrophobicContact CG-CG2 4.13Å; V139-S159 PolarHBondContact N-O 2.8Å; V139-S159 PolarHBondContact O-N 2.87Å; V139-L161 HydrophobicContact CG2-CD1 4.01Å |
| 140 | Q | 85.3 | Confident | 61.8 | Low | 19 Ų | 19 | 98.9 Ų | 98.9 | 9% | 0.089 | 53% | 0.531 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 130.3 | 177 | -171.2 | 175.1 | -31.2 | 0 | 0 | 109.4 | W177 Y226 | Q140-W177 HydrophobicContact CG-CH2 4.1Å; Q140-W177 HydrophobicContact CG-CZ3 4.23Å; Q140-Y226 PolarHBondContact NE2-O 3.49Å |
| 141 | Q | 79.1 | Confident | 61.8 | Low | 83 Ų | 83 | 96.6 Ų | 96.6 | 39% | 0.388 | 52% | 0.524 | S | S | . | . | P | Polyproline II helix | trans | -92.1 | 154.1 | 173.9 | -67 | -178.9 | -2.8 | 0 | 0 | 110.6 | Q157 | Q141-Q157 HydrophobicContact CB-CB 4.29Å; Q141-Q157 VanDerWaalsContact CD-OE1 3.28Å; Q141-Q157 PolarHBondContact N-O 3.1Å; Q141-Q157 VanDerWaalsContact NE2-OE1 3.17Å; Q141-Q157 VanDerWaalsContact OE1-OE1 3.06Å |
| 142 | H | 67.9 | Low | 62.2 | Low | 147 Ų | 147 | 91.4 Ų | 91.4 | 68% | 0.681 | 51% | 0.51 | S | S | * | . | P | Polyproline II helix | trans | -65.9 | 152.2 | 177.4 | -71.4 | -78.6 | 0 | 0 | 0 | 111.6 | V144 | H142-V144 PolarHBondContact O-N 2.75Š|
| 143 | A | 64.6 | Low | 63 | Low | 30 Ų | 30 | 83.2 Ų | 83.2 | 25% | 0.248 | 49% | 0.488 | C | S | . | . | P | Polyproline II helix | trans | -56.3 | 119.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | V154 L156 | A143-V154 HydrophobicContact CB-CG1 3.79Å; A143-L156 HydrophobicContact CB-CD2 3.73Å |
| 144 | V | 59.3 | Low | 64.4 | Low | 91 Ų | 91 | 78 Ų | 78 | 55% | 0.552 | 46% | 0.455 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 113.6 | 170.4 | -175.8 | 0 | 0 | 0 | 0 | 107 | H142 S155 | H142-V144 PolarHBondContact O-N 2.75Å; V144-S155 PolarHBondContact N-O 3.44Å |
| 145 | S | 55.6 | Low | 65.4 | Low | 85 Ų | 85 | 79.1 Ų | 79.1 | 59% | 0.594 | 46% | 0.464 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 125.9 | 167.7 | 51.4 | 0 | 0 | 0 | 0 | 108.8 | ||
| 146 | H | 51.1 | Low | 66.1 | Low | 159 Ų | 159 | 74.9 Ų | 74.9 | 74% | 0.736 | 44% | 0.441 | S | S | * | . | trans | -93.9 | 97.5 | 173.4 | -137.2 | 147.3 | 0 | 0 | 0 | 107.6 | ||||
| 147 | S | 46.1 | Very low | 66.6 | Low | 104 Ų | 104 | 75.5 Ų | 75.5 | 73% | 0.727 | 45% | 0.445 | S | S | * | . | trans | -78.9 | 126.3 | -179 | 175.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 148 | A | 50.1 | Low | 66.7 | Low | 82 Ų | 82 | 69.4 Ų | 69.4 | 68% | 0.678 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -163.2 | -17.3 | 147.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 149 | N | 47.1 | Very low | 66.8 | Low | 137 Ų | 137 | 68.6 Ų | 68.6 | 73% | 0.733 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -164.3 | 162.2 | -178.4 | -95.7 | -35.7 | 0 | 0 | 0 | 113.3 | A151 | N149-A151 VanDerWaalsContact C-N 3.29Å; N149-A151 PolarHBondContact O-N 3.08Å |
| 150 | P | 43.4 | Very low | 66.7 | Low | 126 Ų | 126 | 66.3 Ų | 66.3 | 82% | 0.818 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -80.5 | 34 | -150.7 | 33.4 | -38 | 0 | 0 | 0 | 117.1 | ||
| 151 | A | 52.3 | Low | 66.6 | Low | 75 Ų | 75 | 66.6 Ų | 66.6 | 62% | 0.62 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -126.1 | 80.2 | 164.4 | 0 | 0 | 0 | 0 | 0 | 107.1 | N149 S153 | N149-A151 VanDerWaalsContact C-N 3.29Å; N149-A151 PolarHBondContact O-N 3.08Å; A151-S153 PolarHBondContact O-N 3.28Å |
| 152 | D | 61.1 | Low | 66.4 | Low | 72 Ų | 72 | 63.5 Ų | 63.5 | 39% | 0.385 | 39% | 0.388 | S | S | . | . | trans | -66.4 | 93 | -172.4 | -70.2 | -36.2 | 0 | 0 | 0 | 110.3 | V154 A218 | D152-V154 PolarHBondContact O-N 3.46Å; D152-A218 PolarHBondContact O-N 2.93Å | ||
| 153 | S | 66.3 | Low | 66.5 | Low | 55 Ų | 55 | 58.8 Ų | 58.8 | 39% | 0.385 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 115.8 | 170.3 | 64.4 | 0 | 0 | 0 | 0 | 108.5 | A151 M216 | A151-S153 PolarHBondContact O-N 3.28Å; S153-M216 CarbonylContact C-O 3.58Å; S153-M216 WeakPolarHBondContact CA-O 3.42Å |
| 154 | V | 75.8 | Confident | 66.3 | Low | 12 Ų | 12 | 59.5 Ų | 59.5 | 7% | 0.073 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 130.7 | 175.8 | 174.4 | 0 | 0 | 0 | 0 | 108.4 | A143 D152 S215 M216 A218 L244 | A143-V154 HydrophobicContact CB-CG1 3.79Å; D152-V154 PolarHBondContact O-N 3.46Å; V154-S215 WeakPolarHBondContact O-CA 3.32Å; V154-M216 PolarHBondContact N-O 3.44Å; V154-M216 PolarHBondContact O-N 3.11Å; V154-A218 HydrophobicContact CB-CB 4.28Å; V154-A218 HydrophobicContact CG2-CB 3.51Å; V154-L244 HydrophobicContact CB-CD1 4.4Å; V154-L244 HydrophobicContact CG1-CD1 4.03Å; V154-L244 HydrophobicContact CG1-CD2 4.4Å; V154-L244 HydrophobicContact CG2-CD1 3.67Å; V154-L244 HydrophobicContact CG2-CD2 4.33Å |
| 155 | S | 77.8 | Confident | 66 | Low | 59 Ų | 59 | 62.5 Ų | 62.5 | 41% | 0.413 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 131.4 | 174 | 65.2 | 0 | 0 | 0 | 0 | 110.9 | V144 F214 | V144-S155 PolarHBondContact N-O 3.44Å; S155-F214 CarbonylContact C-O 3.59Å; S155-F214 WeakPolarHBondContact CA-O 3.19Å |
| 156 | L | 80.4 | Confident | 66 | Low | 5 Ų | 5 | 61.3 Ų | 61.3 | 3% | 0.026 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 135.8 | 174.7 | -67.9 | 174 | 0 | 0 | 0 | 109.1 | A143 W177 N213 F214 Y226 A242 | A143-L156 HydrophobicContact CB-CD2 3.73Å; L156-W177 HydrophobicContact CB-CH2 3.53Å; L156-W177 HydrophobicContact CB-CZ2 3.8Å; L156-W177 HydrophobicContact CB-CZ3 3.94Å; L156-W177 HydrophobicContact CD1-CE3 4.12Å; L156-W177 HydrophobicContact CD1-CH2 4.41Å; L156-W177 HydrophobicContact CD1-CZ3 3.94Å; L156-W177 HydrophobicContact CG-CH2 4.48Å; L156-W177 HydrophobicContact CG-CZ3 4.45Å; L156-N213 WeakPolarHBondContact O-CA 3.2Å; L156-F214 HydrophobicContact CD1-CD1 4.26Å; L156-F214 PolarHBondContact N-O 3.21Å; L156-F214 PolarHBondContact O-N 3.23Å; L156-Y226 VanDerWaalsContact CD1-CB 3.49Å; L156-Y226 HydrophobicContact CD1-CD1 3.63Å; L156-Y226 HydrophobicContact CD1-CD2 4.46Å; L156-Y226 HydrophobicContact CD1-CE1 4.49Å; L156-Y226 HydrophobicContact CD1-CG 3.62Å; L156-A242 HydrophobicContact CD2-CB 3.68Å |
| 157 | Q | 85.8 | Confident | 66.1 | Low | 44 Ų | 44 | 63 Ų | 63 | 21% | 0.206 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 133.9 | 179.2 | -179.4 | 173.2 | 111.7 | 0 | 0 | 110.9 | Q141 I211 Y212 N213 | Q141-Q157 HydrophobicContact CB-CB 4.29Å; Q141-Q157 VanDerWaalsContact CD-OE1 3.28Å; Q141-Q157 PolarHBondContact N-O 3.1Å; Q141-Q157 VanDerWaalsContact NE2-OE1 3.17Å; Q141-Q157 VanDerWaalsContact OE1-OE1 3.06Å; Q157-I211 VanDerWaalsContact CD-CG2 3.41Å; Q157-I211 HydrophobicContact CG-CG2 3.55Å; Q157-Y212 WeakPolarHBondContact CA-O 3.12Å; Q157-N213 VanDerWaalsContact CG-OD1 3.31Å; Q157-N213 WeakPolarHBondContact CG-OD1 3.31Å; Q157-N213 PolarHBondContact NE2-OD1 2.66Å |
| 158 | C | 84.6 | Confident | 66.6 | Low | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 130.4 | 173.6 | -171.8 | 0 | 0 | 0 | 0 | 110.2 | V138 W177 Y212 C228 | V138-C158 VanDerWaalsContact CG1-SG 3.53Å; C158-W177 HydrophobicContact CB-CH2 3.93Å; C158-W177 HydrophobicContact CB-CZ2 3.7Å; C158-Y212 PolarHBondContact N-O 2.85Å; C158-Y212 PolarHBondContact O-N 2.96Å; C158-C228 HydrophobicContact CB-CB 3.41Å; C158-C228 VanDerWaalsContact CB-CB 3.41Å; C158-C228 WeakPolarHBondContact CB-SG 3.14Å; C158-C228 WeakPolarHBondContact SG-CB 3.37Å; C158-C228 CovalentContact SG-SG 2.04Å; C158-C228 PolarHBondContact SG-SG 2.99Å |
| 159 | S | 85.1 | Confident | 66.9 | Low | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.007 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 127.4 | 178.5 | -69.2 | 0 | 0 | 0 | 0 | 110.6 | V138 V139 R209 C210 | V138-S159 CarbonylContact C-O 3.58Å; V138-S159 WeakPolarHBondContact CA-O 3.01Å; V139-S159 PolarHBondContact N-O 2.8Å; V139-S159 PolarHBondContact O-N 2.87Å; S159-R209 PolarHBondContact OG-NE 2.83Å; S159-R209 PolarHBondContact OG-NH2 3.04Å; S159-R209 VanDerWaalsContact OG-NH2 3.07Å; S159-C210 CarbonylContact C-O 3.55Å; S159-C210 WeakPolarHBondContact CA-O 3.28Å |
| 160 | F | 82.8 | Confident | 67.3 | Low | 6 Ų | 6 | 60.7 Ų | 60.7 | 3% | 0.026 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 125.3 | 172.1 | 177 | -117.5 | 0 | 0 | 0 | 109.9 | Y136 V138 T162 P173 R209 C210 Y212 V230 T232 L237 | Y136-F160 HydrophobicContact CD1-CE2 4.46Å; Y136-F160 HydrophobicContact CD1-CZ 4.11Å; Y136-F160 HydrophobicContact CG-CE2 4.27Å; Y136-F160 HydrophobicContact CG-CZ 4.26Å; V138-F160 HydrophobicContact CG2-CD2 4.12Å; F160-T162 HydrophobicContact CD1-CG2 3.89Å; F160-T162 HydrophobicContact CE1-CG2 3.12Å; F160-T162 HydrophobicContact CE2-CG2 3.98Å; F160-T162 HydrophobicContact CZ-CG2 3.16Å; F160-P173 HydrophobicContact CD1-CB 4.36Å; F160-P173 HydrophobicContact CD1-CG 4.29Å; F160-P173 HydrophobicContact CE1-CB 4.05Å; F160-P173 HydrophobicContact CE1-CG 3.71Å; F160-P173 HydrophobicContact CZ-CG 4.46Å; F160-R209 WeakPolarHBondContact O-CA 3.47Å; F160-C210 HydrophobicContact CB-CB 4.39Å; F160-C210 PolarHBondContact N-O 2.81Å; F160-C210 PolarHBondContact O-N 2.84Å; F160-Y212 HydrophobicContact CB-CE2 4.35Å; F160-V230 HydrophobicContact CB-CG2 4.4Å; F160-V230 HydrophobicContact CD1-CG1 4.49Å; F160-V230 HydrophobicContact CD2-CB 4.28Å; F160-V230 HydrophobicContact CD2-CG1 3.76Å; F160-V230 HydrophobicContact CD2-CG2 4.47Å; F160-V230 HydrophobicContact CE2-CG1 4.02Å; F160-V230 HydrophobicContact CG-CG1 4.02Å; F160-T232 HydrophobicContact CE2-CG2 3.94Å; F160-T232 HydrophobicContact CZ-CG2 3.74Å; F160-L237 HydrophobicContact CE2-CD1 3.93Å |
| 161 | L | 82 | Confident | 68 | Low | 25 Ų | 25 | 62 Ų | 62 | 13% | 0.131 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 133 | -176.3 | -61.2 | 169.2 | 0 | 0 | 0 | 110.2 | Y136 K137 V139 R209 | Y136-L161 WeakPolarHBondContact CA-O 3.4Å; K137-L161 HydrophobicContact CB-CB 4.2Å; K137-L161 HydrophobicContact CB-CD1 4.29Å; K137-L161 HydrophobicContact CD-CD1 4.26Å; K137-L161 HydrophobicContact CG-CD1 4.45Å; K137-L161 PolarHBondContact N-O 3.47Å; K137-L161 PolarHBondContact O-N 3.26Å; V139-L161 HydrophobicContact CG2-CD1 4.01Å; L161-R209 HydrophobicContact CD2-CB 3.83Å; L161-R209 HydrophobicContact CD2-CG 3.67Å |
| 162 | T | 76.4 | Confident | 68.5 | Low | 18 Ų | 18 | 65.8 Ų | 65.8 | 11% | 0.11 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 143.9 | 176.5 | 64.5 | 0 | 0 | 0 | 0 | 111.4 | Y136 F160 Q207 K208 | Y136-T162 HydrophobicContact CD1-CG2 3.53Å; Y136-T162 HydrophobicContact CE1-CG2 3.83Å; F160-T162 HydrophobicContact CD1-CG2 3.89Å; F160-T162 HydrophobicContact CE1-CG2 3.12Å; F160-T162 HydrophobicContact CE2-CG2 3.98Å; F160-T162 HydrophobicContact CZ-CG2 3.16Å; T162-Q207 CarbonylContact O-C 3.47Å; T162-Q207 WeakPolarHBondContact O-CA 3.22Å; T162-Q207 WeakPolarHBondContact O-CG 3.41Å; T162-K208 PolarHBondContact N-O 3.43Å; T162-K208 PolarHBondContact O-N 2.89Å; T162-K208 WeakPolarHBondContact OG1-CB 3.26Å |
| 163 | D | 69.9 | Low | 68.9 | Low | 48 Ų | 48 | 64.5 Ų | 64.5 | 26% | 0.257 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 136.6 | 172.2 | -68 | -23.4 | 0 | 0 | 0 | 110.5 | N135 D165 Q166 | N135-D163 WeakPolarHBondContact CB-OD2 3.39Å; N135-D163 PolarHBondContact ND2-OD2 3.46Å; D163-D165 VanDerWaalsContact C-N 3.32Å; D163-D165 PolarHBondContact O-N 2.81Å; D163-Q166 PolarHBondContact O-N 2.74Å |
| 164 | S | 58.6 | Low | 69.3 | Low | 45 Ų | 45 | 64.6 Ų | 64.6 | 32% | 0.315 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -25.7 | -168.9 | -175.8 | 0 | 0 | 0 | 0 | 114.3 | Q166 I206 | S164-Q166 PolarHBondContact O-N 2.8Å; S164-I206 VanDerWaalsContact CB-O 3.32Å; S164-I206 WeakPolarHBondContact CB-O 3.03Å; S164-I206 PolarHBondContact N-O 2.02Å |
| 165 | D | 54.8 | Low | 69.3 | Low | 155 Ų | 155 | 64.1 Ų | 64.1 | 83% | 0.829 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -4.6 | -175.1 | -66.9 | -28.1 | 0 | 0 | 0 | 113.7 | D163 | D163-D165 VanDerWaalsContact C-N 3.32Å; D163-D165 PolarHBondContact O-N 2.81Å |
| 166 | Q | 55.5 | Low | 69.3 | Low | 59 Ų | 59 | 62.9 Ų | 62.9 | 28% | 0.276 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -88.8 | 121.9 | 176 | -61 | -168.9 | -9.8 | 0 | 0 | 109.4 | D163 S164 P168 | D163-Q166 PolarHBondContact O-N 2.74Å; S164-Q166 PolarHBondContact O-N 2.8Å; Q166-P168 WeakPolarHBondContact O-CD 3.27Å |
| 167 | K | 52.3 | Low | 69.2 | Low | 195 Ų | 195 | 62.7 Ų | 62.7 | 85% | 0.848 | 34% | 0.341 | S | S | * | . | P | Polyproline II helix | trans | -52.6 | 116.2 | 170.2 | -169.2 | 178.2 | -175.6 | -179.1 | 0 | 106.8 | C169 | K167-C169 PolarHBondContact O-N 2.89Š|
| 168 | P | 56.3 | Low | 68.9 | Low | 87 Ų | 87 | 61 Ų | 61 | 57% | 0.565 | 33% | 0.333 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 140.2 | 177.6 | 24.1 | -31.3 | 0 | 0 | 0 | 107.6 | Q166 | Q166-P168 WeakPolarHBondContact O-CD 3.27Š|
| 169 | C | 57.7 | Low | 68.6 | Low | 52 Ų | 52 | 62.4 Ų | 62.4 | 35% | 0.351 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -52.6 | 144.7 | 163.8 | -65.6 | 0 | 0 | 0 | 0 | 108.2 | K167 E171 C233 | K167-C169 PolarHBondContact O-N 2.89Å; C169-E171 PolarHBondContact O-N 2.97Å; C169-C233 HydrophobicContact CB-CB 4.15Å; C169-C233 WeakPolarHBondContact CB-SG 3.41Å; C169-C233 WeakPolarHBondContact SG-CA 3.41Å; C169-C233 WeakPolarHBondContact SG-CB 3.28Å; C169-C233 CovalentContact SG-SG 2.02Å; C169-C233 PolarHBondContact SG-SG 2.84Å |
| 170 | S | 54 | Low | 67.9 | Low | 136 Ų | 136 | 63.9 Ų | 63.9 | 95% | 0.951 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -60.1 | -16.2 | -178.8 | -74.1 | 0 | 0 | 0 | 0 | 113.1 | ||
| 171 | E | 58.4 | Low | 67 | Low | 152 Ų | 152 | 64.2 Ų | 64.2 | 71% | 0.71 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -90.2 | 130.8 | 174.1 | -65.9 | 178.3 | -178.7 | 0 | 0 | 111.3 | C169 | C169-E171 PolarHBondContact O-N 2.97Š|
| 172 | E | 62.9 | Low | 65.7 | Low | 155 Ų | 155 | 68.7 Ų | 68.7 | 72% | 0.724 | 39% | 0.389 | S | S | * | . | P | Polyproline II helix | trans | -67.2 | 141.2 | 173.4 | -69.6 | -179.9 | 169.2 | 0 | 0 | 111 | S174 | E172-S174 PolarHBondContact O-N 2.92Š|
| 173 | P | 70.3 | Confident | 64.7 | Low | 45 Ų | 45 | 74.1 Ų | 74.1 | 29% | 0.292 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 131.1 | 177 | -21.2 | 31.3 | 0 | 0 | 0 | 111.8 | F160 V230 A231 | F160-P173 HydrophobicContact CD1-CB 4.36Å; F160-P173 HydrophobicContact CD1-CG 4.29Å; F160-P173 HydrophobicContact CE1-CB 4.05Å; F160-P173 HydrophobicContact CE1-CG 3.71Å; F160-P173 HydrophobicContact CZ-CG 4.46Å; P173-V230 HydrophobicContact CB-CG1 4.12Å; P173-A231 WeakPolarHBondContact CA-O 3.22Å |
| 174 | S | 73.3 | Confident | 63.7 | Low | 57 Ų | 57 | 75.3 Ų | 75.3 | 40% | 0.399 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 132.6 | 177.3 | -59.1 | 0 | 0 | 0 | 0 | 111 | E172 V230 A231 | E172-S174 PolarHBondContact O-N 2.92Å; S174-V230 CarbonylContact O-C 3.55Å; S174-V230 WeakPolarHBondContact O-CA 3.46Å; S174-A231 PolarHBondContact N-O 2.88Å; S174-A231 PolarHBondContact O-N 2.9Å |
| 175 | M | 76.6 | Confident | 63.3 | Low | 3 Ų | 3 | 77.7 Ų | 77.7 | 2% | 0.015 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 137.3 | -177.8 | -171.6 | -78.1 | -79.7 | 0 | 0 | 111.8 | W177 Y191 D193 Y212 A229 V230 | M175-W177 VanDerWaalsContact SD-CD1 3.54Å; M175-W177 HydrophobicContact SD-CG 4.24Å; M175-Y191 HydrophobicContact CE-CE1 4.48Å; M175-D193 HydrophobicContact CE-CB 4.43Å; M175-D193 PolarHBondContact O-N 3.43Å; M175-Y212 HydrophobicContact CB-CD1 3.9Å; M175-Y212 HydrophobicContact CB-CD2 4.27Å; M175-Y212 HydrophobicContact CB-CE1 3.92Å; M175-Y212 HydrophobicContact CB-CE2 4.31Å; M175-Y212 HydrophobicContact CB-CG 4.08Å; M175-Y212 HydrophobicContact CE-CD1 3.95Å; M175-Y212 HydrophobicContact CE-CG 3.8Å; M175-Y212 HydrophobicContact CG-CD1 4.2Å; M175-Y212 HydrophobicContact CG-CD2 4.06Å; M175-Y212 HydrophobicContact CG-CG 3.91Å; M175-A229 WeakPolarHBondContact CA-O 3.4Å; M175-V230 HydrophobicContact CG-CG2 4.31Å |
| 176 | F | 78.4 | Confident | 63 | Low | 33 Ų | 33 | 74.3 Ų | 74.3 | 15% | 0.145 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 140.4 | -179.5 | -51.8 | -86.7 | 0 | 0 | 0 | 110.7 | L189 Y191 T192 C228 A229 A231 | F176-L189 HydrophobicContact CB-CD1 4.06Å; F176-L189 HydrophobicContact CD1-CD1 4.26Å; F176-Y191 WeakPolarHBondContact CA-O 3.43Å; F176-T192 HydrophobicContact CD1-CG2 3.61Å; F176-T192 HydrophobicContact CE1-CG2 3.85Å; F176-C228 CarbonylContact O-C 3.54Å; F176-C228 WeakPolarHBondContact O-CA 3.5Å; F176-A229 HydrophobicContact CB-CB 4.4Å; F176-A229 PolarHBondContact N-O 3.48Å; F176-A229 PolarHBondContact O-N 3.01Å; F176-A231 HydrophobicContact CE2-CB 3.91Å |
| 177 | W | 78.3 | Confident | 63.1 | Low | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 133 | 165.6 | -72.7 | 100.2 | 0 | 0 | 0 | 111 | Q140 L156 C158 M175 I190 Y191 F214 Y227 C228 | Q140-W177 HydrophobicContact CG-CH2 4.1Å; Q140-W177 HydrophobicContact CG-CZ3 4.23Å; L156-W177 HydrophobicContact CB-CH2 3.53Å; L156-W177 HydrophobicContact CB-CZ2 3.8Å; L156-W177 HydrophobicContact CB-CZ3 3.94Å; L156-W177 HydrophobicContact CD1-CE3 4.12Å; L156-W177 HydrophobicContact CD1-CH2 4.41Å; L156-W177 HydrophobicContact CD1-CZ3 3.94Å; L156-W177 HydrophobicContact CG-CH2 4.48Å; L156-W177 HydrophobicContact CG-CZ3 4.45Å; C158-W177 HydrophobicContact CB-CH2 3.93Å; C158-W177 HydrophobicContact CB-CZ2 3.7Å; M175-W177 VanDerWaalsContact SD-CD1 3.54Å; M175-W177 HydrophobicContact SD-CG 4.24Å; W177-I190 PolarHBondContact O-N 3.27Å; W177-Y191 AromaticContact CD1-CD1 3.86Å; W177-Y191 PolarHBondContact N-O 2.8Å; W177-Y191 PolarHBondContact O-N 2.84Å; W177-F214 AromaticContact CD1-CG 3.92Å; W177-F214 HydrophobicContact CD2-CB 4.41Å; W177-F214 HydrophobicContact CG-CB 4.29Å; W177-F214 HydrophobicContact CG-CG 4.35Å; W177-F214 HydrophobicContact CZ2-CB 4.42Å; W177-F214 VanDerWaalsContact NE1-CB 3.26Å; W177-Y227 WeakPolarHBondContact CA-O 3.49Å; W177-C228 HydrophobicContact CD2-CB 4.13Å; W177-C228 HydrophobicContact CE3-CB 3.9Å; W177-C228 HydrophobicContact CH2-CB 3.81Å; W177-C228 HydrophobicContact CZ2-CB 4.05Å; W177-C228 HydrophobicContact CZ3-CB 3.74Å |
| 178 | I | 79.2 | Confident | 63.6 | Low | 9 Ų | 9 | 66.2 Ų | 66.2 | 5% | 0.046 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 126.6 | -171.9 | -56.8 | 169.9 | 0 | 0 | 0 | 108.3 | I3 P187 D188 L189 Y226 Y227 A229 | I3-I178 HydrophobicContact CD1-CD1 3.64Å; I3-I178 HydrophobicContact CG2-CD1 4.15Å; I178-P187 HydrophobicContact CG2-CB 3.46Å; I178-P187 VanDerWaalsContact CG2-CB 3.46Å; I178-P187 HydrophobicContact CG2-CG 4.19Å; I178-D188 CarbonylContact C-O 3.53Å; I178-D188 WeakPolarHBondContact CA-O 3.32Å; I178-L189 HydrophobicContact CG1-CD1 4.26Å; I178-Y226 CarbonylContact O-C 3.56Å; I178-Y226 WeakPolarHBondContact O-CA 3.43Å; I178-Y227 PolarHBondContact N-O 2.98Å; I178-Y227 PolarHBondContact O-N 3.36Å; I178-A229 HydrophobicContact CD1-CB 3.75Å |
| 179 | R | 77.3 | Confident | 63.9 | Low | 30 Ų | 30 | 64.4 Ų | 64.4 | 11% | 0.113 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 132.8 | 169.6 | -141.1 | 167.7 | 50.1 | 125.7 | -12.6 | 109.4 | P187 D188 I190 S221 V223 T225 Y226 | R179-P187 CarbonylContact O-C 3.55Å; R179-P187 VanDerWaalsContact O-C 3.29Å; R179-P187 WeakPolarHBondContact O-CA 3.49Å; R179-P187 WeakPolarHBondContact O-CB 3.21Å; R179-D188 HydrophobicContact CB-CB 4.14Å; R179-D188 IonicContact CZ-OD2 3.05Å; R179-D188 PolarHBondContact N-O 3.37Å; R179-D188 IonicContact NE-OD2 2.99Å; R179-D188 PolarHBondContact NE-OD2 2.81Å; R179-D188 IonicContact NH2-OD2 2.62Å; R179-D188 PolarHBondContact NH2-OD2 2.84Å; R179-D188 PolarHBondContact O-N 2.91Å; R179-I190 HydrophobicContact CB-CD1 3.4Å; R179-I190 HydrophobicContact CB-CG1 3.72Å; R179-I190 HydrophobicContact CG-CD1 3.73Å; R179-S221 PolarHBondContact NH1-O 2.81Å; R179-V223 PolarHBondContact NH1-O 2.89Å; R179-T225 CarbonylContact C-O 3.58Å; R179-T225 WeakPolarHBondContact CA-O 3.28Å; R179-Y226 WeakPolarHBondContact CD-OH 3.38Å; R179-Y226 HydrophobicContact CG-CD1 4.49Å; R179-Y226 HydrophobicContact CG-CD2 4.41Å; R179-Y226 HydrophobicContact CG-CE1 4.15Å; R179-Y226 HydrophobicContact CG-CE2 3.99Å |
| 180 | A | 70.9 | Confident | 64.3 | Low | 32 Ų | 32 | 64.4 Ų | 64.4 | 26% | 0.264 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 112 | 155.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | T225 Y227 | A180-T225 PolarHBondContact N-O 2.69Å; A180-T225 PolarHBondContact O-N 3.13Å; A180-Y227 HydrophobicContact CB-CD2 4.46Å; A180-Y227 HydrophobicContact CB-CE2 3.84Å |
| 181 | G | 63 | Low | 64.6 | Low | 12 Ų | 12 | 61.3 Ų | 61.3 | 12% | 0.124 | 33% | 0.333 | C | S | . | . | trans | -73.3 | 147.4 | 169 | 0 | 0 | 0 | 0 | 0 | 110.4 | D183 | G181-D183 VanDerWaalsContact C-N 3.26Š| ||
| 182 | S | 55.1 | Low | 64.5 | Low | 119 Ų | 119 | 57.7 Ų | 57.7 | 83% | 0.832 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -73.3 | -20.4 | 175.7 | 47.4 | 0 | 0 | 0 | 0 | 113 | ||
| 183 | D | 56.6 | Low | 64.2 | Low | 133 Ų | 133 | 51.6 Ų | 51.6 | 71% | 0.711 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -105.9 | -5.7 | -176.8 | 63.6 | -31.2 | 0 | 0 | 0 | 113.6 | G181 | G181-D183 VanDerWaalsContact C-N 3.26Š|
| 184 | K | 48.3 | Very low | 63.2 | Low | 73 Ų | 73 | 52.7 Ų | 52.7 | 32% | 0.317 | 31% | 0.313 | S | S | . | . | trans | -106.6 | 135.9 | -177.2 | -64.1 | -171.4 | 178.9 | -172.7 | 0 | 111.8 | Y186 D188 | K184-Y186 WeakPolarHBondContact CB-O 3.29Å; K184-Y186 HydrophobicContact CD-CE2 4.49Å; K184-Y186 PolarHBondContact O-N 3.46Å; K184-D188 VanDerWaalsContact NZ-CG 3.29Å; K184-D188 IonicContact NZ-OD1 3.49Å; K184-D188 PolarHBondContact NZ-OD1 3.02Å; K184-D188 IonicContact NZ-OD2 2.68Å; K184-D188 PolarHBondContact NZ-OD2 3.37Å | ||
| 185 | S | 49.4 | Very low | 62.1 | Low | 94 Ų | 94 | 58.3 Ų | 58.3 | 66% | 0.657 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -72.6 | -11.8 | 173.6 | 55.5 | 0 | 0 | 0 | 0 | 113.5 | ||
| 186 | Y | 49.3 | Very low | 60.8 | Low | 84 Ų | 84 | 69.4 Ų | 69.4 | 33% | 0.329 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -132.3 | 146.4 | 179.6 | 53.2 | -92.5 | 0 | 0 | 0 | 110.8 | K184 | K184-Y186 WeakPolarHBondContact CB-O 3.29Å; K184-Y186 HydrophobicContact CD-CE2 4.49Å; K184-Y186 PolarHBondContact O-N 3.46Å |
| 187 | P | 57.8 | Low | 59.5 | Low | 50 Ų | 50 | 70.1 Ų | 70.1 | 33% | 0.325 | 38% | 0.381 | S | S | . | . | trans | -68.8 | 153.6 | 172.1 | 27.9 | -31.6 | 0 | 0 | 0 | 110.9 | F7 I178 R179 | F7-P187 WeakPolarHBondContact CE1-O 3.39Å; F7-P187 HydrophobicContact CE2-CG 4.36Å; F7-P187 HydrophobicContact CZ-CB 4.3Å; F7-P187 HydrophobicContact CZ-CG 3.94Å; F7-P187 WeakPolarHBondContact CZ-O 3.39Å; I178-P187 HydrophobicContact CG2-CB 3.46Å; I178-P187 VanDerWaalsContact CG2-CB 3.46Å; I178-P187 HydrophobicContact CG2-CG 4.19Å; R179-P187 CarbonylContact O-C 3.55Å; R179-P187 VanDerWaalsContact O-C 3.29Å; R179-P187 WeakPolarHBondContact O-CA 3.49Å; R179-P187 WeakPolarHBondContact O-CB 3.21Å | ||
| 188 | D | 62.3 | Low | 58.6 | Low | 34 Ų | 34 | 72.9 Ų | 72.9 | 18% | 0.182 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 131.8 | 169.9 | -65.4 | -38 | 0 | 0 | 0 | 109.7 | I178 R179 K184 I190 | I178-D188 CarbonylContact C-O 3.53Å; I178-D188 WeakPolarHBondContact CA-O 3.32Å; R179-D188 HydrophobicContact CB-CB 4.14Å; R179-D188 IonicContact CZ-OD2 3.05Å; R179-D188 PolarHBondContact N-O 3.37Å; R179-D188 IonicContact NE-OD2 2.99Å; R179-D188 PolarHBondContact NE-OD2 2.81Å; R179-D188 IonicContact NH2-OD2 2.62Å; R179-D188 PolarHBondContact NH2-OD2 2.84Å; R179-D188 PolarHBondContact O-N 2.91Å; K184-D188 VanDerWaalsContact NZ-CG 3.29Å; K184-D188 IonicContact NZ-OD1 3.49Å; K184-D188 PolarHBondContact NZ-OD1 3.02Å; K184-D188 IonicContact NZ-OD2 2.68Å; K184-D188 PolarHBondContact NZ-OD2 3.37Å; D188-I190 PolarHBondContact O-N 2.79Å |
| 189 | L | 63.1 | Low | 57.8 | Low | 49 Ų | 49 | 76.1 Ų | 76.1 | 26% | 0.257 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 107.3 | 169.1 | -178.7 | 67.6 | 0 | 0 | 0 | 108.7 | F4 F7 F176 I178 T192 | F4-L189 HydrophobicContact CD2-CD2 3.86Å; F4-L189 HydrophobicContact CE2-CD2 3.84Å; F7-L189 HydrophobicContact CE1-CB 4.25Å; F7-L189 HydrophobicContact CE2-CB 4.25Å; F7-L189 HydrophobicContact CZ-CB 4Å; F176-L189 HydrophobicContact CB-CD1 4.06Å; F176-L189 HydrophobicContact CD1-CD1 4.26Å; I178-L189 HydrophobicContact CG1-CD1 4.26Å; L189-T192 HydrophobicContact CD1-CG2 4.38Å; L189-T192 HydrophobicContact CD2-CG2 3.79Å; L189-T192 HydrophobicContact CG-CG2 4.27Å |
| 190 | I | 64.9 | Low | 57.5 | Low | 53 Ų | 53 | 78.1 Ų | 78.1 | 27% | 0.272 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | -35.7 | -172.3 | -45 | 176.5 | 0 | 0 | 0 | 111 | W177 R179 D188 F214 M216 Y226 | W177-I190 PolarHBondContact O-N 3.27Å; R179-I190 HydrophobicContact CB-CD1 3.4Å; R179-I190 HydrophobicContact CB-CG1 3.72Å; R179-I190 HydrophobicContact CG-CD1 3.73Å; D188-I190 PolarHBondContact O-N 2.79Å; I190-F214 HydrophobicContact CG2-CZ 3.95Å; I190-M216 HydrophobicContact CG2-SD 4.5Å; I190-Y226 HydrophobicContact CD1-CD1 3.37Å; I190-Y226 HydrophobicContact CD1-CE1 3.07Å; I190-Y226 HydrophobicContact CD1-CG 4.49Å |
| 191 | Y | 61.2 | Low | 57.2 | Low | 70 Ų | 70 | 81.7 Ų | 81.7 | 28% | 0.275 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 135.9 | -170.7 | -176.1 | -107.6 | 0 | 0 | 0 | 112.4 | M175 F176 W177 D193 F214 | M175-Y191 HydrophobicContact CE-CE1 4.48Å; F176-Y191 WeakPolarHBondContact CA-O 3.43Å; W177-Y191 AromaticContact CD1-CD1 3.86Å; W177-Y191 PolarHBondContact N-O 2.8Å; W177-Y191 PolarHBondContact O-N 2.84Å; Y191-D193 HydrophobicContact CD1-CB 4.24Å; Y191-D193 HydrophobicContact CE1-CB 3.4Å; Y191-D193 VanDerWaalsContact CE1-CB 3.4Å; Y191-D193 PolarHBondContact OH-OD1 3.2Å; Y191-F214 AromaticContact CD1-CD2 3.97Å; Y191-F214 HydrophobicContact CD1-CD2 3.97Å; Y191-F214 HydrophobicContact CD2-CD2 4.23Å; Y191-F214 HydrophobicContact CD2-CE2 4.13Å; Y191-F214 HydrophobicContact CE1-CD2 4.34Å; Y191-F214 AromaticContact CG-CD2 3.84Å; Y191-F214 HydrophobicContact CG-CD2 3.84Å; Y191-F214 AromaticContact CG-CE2 3.94Å; Y191-F214 HydrophobicContact CG-CE2 3.94Å |
| 192 | T | 56 | Low | 57 | Low | 77 Ų | 77 | 89.3 Ų | 89.3 | 47% | 0.472 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 106.9 | 169.6 | 56.5 | 0 | 0 | 0 | 0 | 105.4 | F176 L189 G194 | F176-T192 HydrophobicContact CD1-CG2 3.61Å; F176-T192 HydrophobicContact CE1-CG2 3.85Å; L189-T192 HydrophobicContact CD1-CG2 4.38Å; L189-T192 HydrophobicContact CD2-CG2 3.79Å; L189-T192 HydrophobicContact CG-CG2 4.27Å; T192-G194 PolarHBondContact O-N 2.79Å |
| 193 | D | 57.6 | Low | 56.9 | Low | 27 Ų | 27 | 90.7 Ų | 90.7 | 14% | 0.144 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 114.7 | 173.7 | -160.6 | -5.8 | 0 | 0 | 0 | 108 | M175 Y191 K195 R196 S197 | M175-D193 HydrophobicContact CE-CB 4.43Å; M175-D193 PolarHBondContact O-N 3.43Å; Y191-D193 HydrophobicContact CD1-CB 4.24Å; Y191-D193 HydrophobicContact CE1-CB 3.4Å; Y191-D193 VanDerWaalsContact CE1-CB 3.4Å; Y191-D193 PolarHBondContact OH-OD1 3.2Å; D193-K195 PolarHBondContact OD1-N 2.96Å; D193-R196 PolarHBondContact OD1-N 2.86Å; D193-R196 PolarHBondContact OD2-N 2.83Å; D193-S197 PolarHBondContact OD2-N 3.13Å |
| 194 | G | 47.8 | Very low | 56.7 | Low | 67 Ų | 67 | 89.2 Ų | 89.2 | 69% | 0.691 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -83.1 | -23.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | T192 | T192-G194 PolarHBondContact O-N 2.79Š|
| 195 | K | 52.1 | Low | 56.9 | Low | 175 Ų | 175 | 88.8 Ų | 88.8 | 76% | 0.761 | 49% | 0.489 | S | S | * | . | S | Bend | trans | 176.9 | 15.2 | -178 | -115.4 | 162 | -172.9 | 178.9 | 0 | 120.1 | D193 | D193-K195 PolarHBondContact OD1-N 2.96Š|
| 196 | R | 48.4 | Very low | 57.5 | Low | 237 Ų | 237 | 90.1 Ų | 90.1 | 89% | 0.894 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -118.1 | 0.5 | -163.5 | -97.2 | -177.8 | 176 | 177.2 | -0.8 | 120.5 | D193 | D193-R196 PolarHBondContact OD1-N 2.86Å; D193-R196 PolarHBondContact OD2-N 2.83Å |
| 197 | S | 51.8 | Low | 58.1 | Low | 47 Ų | 47 | 89.9 Ų | 89.9 | 33% | 0.329 | 49% | 0.489 | S | S | . | . | S | Bend | trans | -153.2 | 43.2 | 169.2 | -167.5 | 0 | 0 | 0 | 0 | 114.4 | D193 | D193-S197 PolarHBondContact OD2-N 3.13Š|
| 198 | S | 58 | Low | 58.9 | Low | 59 Ų | 59 | 90.4 Ų | 90.4 | 41% | 0.413 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 110 | 174.7 | 63.7 | 0 | 0 | 0 | 0 | 110.7 | I211 | S198-I211 WeakPolarHBondContact CA-O 3.33Å |
| 199 | T | 63.8 | Low | 59.6 | Low | 77 Ų | 77 | 91.6 Ų | 91.6 | 47% | 0.472 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 103 | 167 | -49.8 | 0 | 0 | 0 | 0 | 107.3 | E201 I211 | T199-E201 HydrophobicContact CG2-CG 4.09Å; T199-I211 PolarHBondContact N-O 3.24Å; T199-I211 VanDerWaalsContact N-O 3.1Å; T199-I211 PolarHBondContact O-N 2.99Å |
| 200 | C | 69.1 | Low | 60.4 | Low | 72 Ų | 72 | 90 Ų | 90 | 49% | 0.486 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 102.7 | 175.4 | -69.7 | 0 | 0 | 0 | 0 | 109.4 | R209 C210 | C200-R209 CarbonylContact C-O 3.54Å; C200-R209 WeakPolarHBondContact CA-O 3.27Å; C200-C210 HydrophobicContact CB-CB 4.19Å; C200-C210 WeakPolarHBondContact CB-SG 3.44Å; C200-C210 WeakPolarHBondContact SG-CB 2.94Å; C200-C210 CovalentContact SG-SG 2.05Å; C200-C210 PolarHBondContact SG-SG 3.5Å |
| 201 | E | 65.8 | Low | 61.2 | Low | 106 Ų | 106 | 88.9 Ų | 88.9 | 50% | 0.495 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 138.6 | 176.6 | -66.6 | 179 | -179 | 0 | 0 | 110.4 | T199 R209 | T199-E201 HydrophobicContact CG2-CG 4.09Å; E201-R209 PolarHBondContact N-O 3.32Å; E201-R209 PolarHBondContact O-N 3.24Å |
| 202 | K | 57.6 | Low | 62 | Low | 173 Ų | 173 | 86.3 Ų | 86.3 | 75% | 0.752 | 47% | 0.465 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 104.3 | 165.3 | -65.4 | -178.7 | -177.2 | 175.7 | 0 | 107.4 | A204 K208 | K202-A204 PolarHBondContact O-N 3.04Å; K202-K208 HydrophobicContact CG-CG 4.36Å |
| 203 | R | 54.2 | Low | 63.1 | Low | 147 Ų | 147 | 85.7 Ų | 85.7 | 56% | 0.555 | 46% | 0.459 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 117.7 | 170.5 | -81.7 | -175.3 | 177.5 | -167.9 | -4.3 | 108.8 | G205 I206 Q207 | R203-G205 VanDerWaalsContact C-N 3.34Å; R203-G205 PolarHBondContact O-N 2.91Å; R203-I206 PolarHBondContact O-N 2.94Å; R203-Q207 PolarHBondContact N-O 3.04Å |
| 204 | A | 52.3 | Low | 64.1 | Low | 102 Ų | 102 | 85.5 Ų | 85.5 | 84% | 0.843 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 23.9 | 63.9 | 166.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | K202 I206 | K202-A204 PolarHBondContact O-N 3.04Å; A204-I206 PolarHBondContact O-N 2.81Å; A204-I206 VanDerWaalsContact O-N 3.14Å |
| 205 | G | 53.4 | Low | 65.4 | Low | 64 Ų | 64 | 86.8 Ų | 86.8 | 66% | 0.66 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.5 | -16.3 | 162.3 | 0 | 0 | 0 | 0 | 0 | 119.1 | R203 | R203-G205 VanDerWaalsContact C-N 3.34Å; R203-G205 PolarHBondContact O-N 2.91Å |
| 206 | I | 60.2 | Low | 66.5 | Low | 123 Ų | 123 | 80.5 Ų | 80.5 | 63% | 0.631 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120 | -34.5 | -168.3 | -55 | 176.6 | 0 | 0 | 0 | 113.9 | S164 R203 A204 | S164-I206 VanDerWaalsContact CB-O 3.32Å; S164-I206 WeakPolarHBondContact CB-O 3.03Å; S164-I206 PolarHBondContact N-O 2.02Å; R203-I206 PolarHBondContact O-N 2.94Å; A204-I206 PolarHBondContact O-N 2.81Å; A204-I206 VanDerWaalsContact O-N 3.14Å |
| 207 | Q | 63 | Low | 67.6 | Low | 78 Ų | 78 | 75 Ų | 75 | 36% | 0.364 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 127.5 | -174.3 | -162.9 | 177.6 | 36.8 | 0 | 0 | 111.8 | T162 R203 | T162-Q207 CarbonylContact O-C 3.47Å; T162-Q207 WeakPolarHBondContact O-CA 3.22Å; T162-Q207 WeakPolarHBondContact O-CG 3.41Å; R203-Q207 PolarHBondContact N-O 3.04Å |
| 208 | K | 73.8 | Confident | 68.5 | Low | 62 Ų | 62 | 73.6 Ų | 73.6 | 27% | 0.27 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 129.4 | 169.5 | -61.2 | 175.9 | -178.9 | 168.2 | 0 | 108.9 | T162 K202 | T162-K208 PolarHBondContact N-O 3.43Å; T162-K208 PolarHBondContact O-N 2.89Å; T162-K208 WeakPolarHBondContact OG1-CB 3.26Å; K202-K208 HydrophobicContact CG-CG 4.36Å |
| 209 | R | 78.7 | Confident | 69.1 | Low | 58 Ų | 58 | 72.1 Ų | 72.1 | 22% | 0.219 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 121.6 | 175.9 | 179.8 | 175.9 | 179.6 | -164.4 | -3.3 | 109.4 | S159 F160 L161 C200 E201 I211 | S159-R209 PolarHBondContact OG-NE 2.83Å; S159-R209 PolarHBondContact OG-NH2 3.04Å; S159-R209 VanDerWaalsContact OG-NH2 3.07Å; F160-R209 WeakPolarHBondContact O-CA 3.47Å; L161-R209 HydrophobicContact CD2-CB 3.83Å; L161-R209 HydrophobicContact CD2-CG 3.67Å; C200-R209 CarbonylContact C-O 3.54Å; C200-R209 WeakPolarHBondContact CA-O 3.27Å; E201-R209 PolarHBondContact N-O 3.32Å; E201-R209 PolarHBondContact O-N 3.24Å; R209-I211 HydrophobicContact CG-CG1 4.19Å |
| 210 | C | 78.6 | Confident | 69.4 | Low | 15 Ų | 15 | 73.8 Ų | 73.8 | 10% | 0.101 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 124.8 | 171.8 | -67.9 | 0 | 0 | 0 | 0 | 109.5 | S159 F160 C200 Y212 | S159-C210 CarbonylContact C-O 3.55Å; S159-C210 WeakPolarHBondContact CA-O 3.28Å; F160-C210 HydrophobicContact CB-CB 4.39Å; F160-C210 PolarHBondContact N-O 2.81Å; F160-C210 PolarHBondContact O-N 2.84Å; C200-C210 HydrophobicContact CB-CB 4.19Å; C200-C210 WeakPolarHBondContact CB-SG 3.44Å; C200-C210 WeakPolarHBondContact SG-CB 2.94Å; C200-C210 CovalentContact SG-SG 2.05Å; C200-C210 PolarHBondContact SG-SG 3.5Å; C210-Y212 HydrophobicContact CB-CE2 3.76Å |
| 211 | I | 81.3 | Confident | 69.5 | Low | 30 Ų | 30 | 74.5 Ų | 74.5 | 15% | 0.154 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 128.2 | 177.5 | -56.9 | 179.2 | 0 | 0 | 0 | 108.2 | Q157 S198 T199 R209 | Q157-I211 VanDerWaalsContact CD-CG2 3.41Å; Q157-I211 HydrophobicContact CG-CG2 3.55Å; S198-I211 WeakPolarHBondContact CA-O 3.33Å; T199-I211 PolarHBondContact N-O 3.24Å; T199-I211 VanDerWaalsContact N-O 3.1Å; T199-I211 PolarHBondContact O-N 2.99Å; R209-I211 HydrophobicContact CG-CG1 4.19Å |
| 212 | Y | 79.6 | Confident | 69.9 | Low | 17 Ų | 17 | 71 Ų | 71 | 7% | 0.067 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 127.4 | 174.8 | -55.8 | -97.1 | 0 | 0 | 0 | 110 | Q157 C158 F160 M175 C210 | Q157-Y212 WeakPolarHBondContact CA-O 3.12Å; C158-Y212 PolarHBondContact N-O 2.85Å; C158-Y212 PolarHBondContact O-N 2.96Å; F160-Y212 HydrophobicContact CB-CE2 4.35Å; M175-Y212 HydrophobicContact CB-CD1 3.9Å; M175-Y212 HydrophobicContact CB-CD2 4.27Å; M175-Y212 HydrophobicContact CB-CE1 3.92Å; M175-Y212 HydrophobicContact CB-CE2 4.31Å; M175-Y212 HydrophobicContact CB-CG 4.08Å; M175-Y212 HydrophobicContact CE-CD1 3.95Å; M175-Y212 HydrophobicContact CE-CG 3.8Å; M175-Y212 HydrophobicContact CG-CD1 4.2Å; M175-Y212 HydrophobicContact CG-CD2 4.06Å; M175-Y212 HydrophobicContact CG-CG 3.91Å; C210-Y212 HydrophobicContact CB-CE2 3.76Å |
| 213 | N | 78.3 | Confident | 70.8 | Confident | 63 Ų | 63 | 65.6 Ų | 65.6 | 34% | 0.337 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 137.7 | 179.6 | -61.8 | -46.3 | 0 | 0 | 0 | 110.4 | L156 Q157 | L156-N213 WeakPolarHBondContact O-CA 3.2Å; Q157-N213 VanDerWaalsContact CG-OD1 3.31Å; Q157-N213 WeakPolarHBondContact CG-OD1 3.31Å; Q157-N213 PolarHBondContact NE2-OD1 2.66Å |
| 214 | F | 77.6 | Confident | 71.9 | Confident | 23 Ų | 23 | 58.9 Ų | 58.9 | 10% | 0.101 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 128 | 171.8 | 172.5 | -102.3 | 0 | 0 | 0 | 108.9 | S155 L156 W177 I190 Y191 M216 | S155-F214 CarbonylContact C-O 3.59Å; S155-F214 WeakPolarHBondContact CA-O 3.19Å; L156-F214 HydrophobicContact CD1-CD1 4.26Å; L156-F214 PolarHBondContact N-O 3.21Å; L156-F214 PolarHBondContact O-N 3.23Å; W177-F214 AromaticContact CD1-CG 3.92Å; W177-F214 HydrophobicContact CD2-CB 4.41Å; W177-F214 HydrophobicContact CG-CB 4.29Å; W177-F214 HydrophobicContact CG-CG 4.35Å; W177-F214 HydrophobicContact CZ2-CB 4.42Å; W177-F214 VanDerWaalsContact NE1-CB 3.26Å; I190-F214 HydrophobicContact CG2-CZ 3.95Å; Y191-F214 AromaticContact CD1-CD2 3.97Å; Y191-F214 HydrophobicContact CD1-CD2 3.97Å; Y191-F214 HydrophobicContact CD2-CD2 4.23Å; Y191-F214 HydrophobicContact CD2-CE2 4.13Å; Y191-F214 HydrophobicContact CE1-CD2 4.34Å; Y191-F214 AromaticContact CG-CD2 3.84Å; Y191-F214 HydrophobicContact CG-CD2 3.84Å; Y191-F214 AromaticContact CG-CE2 3.94Å; Y191-F214 HydrophobicContact CG-CE2 3.94Å; F214-M216 HydrophobicContact CE1-CB 3.74Å; F214-M216 HydrophobicContact CE1-SD 4.24Å; F214-M216 HydrophobicContact CZ-CB 3.82Å; F214-M216 HydrophobicContact CZ-CG 4.37Å; F214-M216 HydrophobicContact CZ-SD 3.93Å |
| 215 | S | 77.1 | Confident | 73.2 | Confident | 95 Ų | 95 | 55.8 Ų | 55.8 | 66% | 0.664 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 133.5 | 177.4 | 56 | 0 | 0 | 0 | 0 | 109.4 | V154 | V154-S215 WeakPolarHBondContact O-CA 3.32Å |
| 216 | M | 73.8 | Confident | 74.5 | Confident | 42 Ų | 42 | 52.9 Ų | 52.9 | 21% | 0.207 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 149.2 | 178.3 | -173.6 | 168.9 | 76.8 | 0 | 0 | 110.1 | S153 V154 I190 F214 A218 D222 Y226 | S153-M216 CarbonylContact C-O 3.58Å; S153-M216 WeakPolarHBondContact CA-O 3.42Å; V154-M216 PolarHBondContact N-O 3.44Å; V154-M216 PolarHBondContact O-N 3.11Å; I190-M216 HydrophobicContact CG2-SD 4.5Å; F214-M216 HydrophobicContact CE1-CB 3.74Å; F214-M216 HydrophobicContact CE1-SD 4.24Å; F214-M216 HydrophobicContact CZ-CB 3.82Å; F214-M216 HydrophobicContact CZ-CG 4.37Å; F214-M216 HydrophobicContact CZ-SD 3.93Å; M216-A218 PolarHBondContact O-N 2.75Å; M216-D222 HydrophobicContact CE-CB 3.72Å; M216-Y226 HydrophobicContact CE-CE1 4.04Å; M216-Y226 WeakPolarHBondContact CE-OH 3.44Å |
| 217 | N | 71.8 | Confident | 75.5 | Confident | 121 Ų | 121 | 50.4 Ų | 50.4 | 65% | 0.647 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 112.9 | 168.2 | -62 | -24 | 0 | 0 | 0 | 107.4 | ||
| 218 | A | 70.4 | Confident | 76.5 | Confident | 18 Ų | 18 | 46.7 Ų | 46.7 | 15% | 0.149 | 27% | 0.272 | C | S | . | . | trans | -84.5 | 120.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | D152 V154 M216 L244 I246 | D152-A218 PolarHBondContact O-N 2.93Å; V154-A218 HydrophobicContact CB-CB 4.28Å; V154-A218 HydrophobicContact CG2-CB 3.51Å; M216-A218 PolarHBondContact O-N 2.75Å; A218-L244 HydrophobicContact CB-CD2 3.96Å; A218-I246 HydrophobicContact CB-CD1 3.79Å; A218-I246 HydrophobicContact CB-CG1 4.3Å | ||
| 219 | G | 70.3 | Confident | 76.8 | Confident | 29 Ų | 29 | 43.8 Ų | 43.8 | 30% | 0.299 | 26% | 0.259 | S | S | . | . | trans | -111.3 | 173.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | S221 D222 I246 | G219-S221 PolarHBondContact O-N 2.76Å; G219-D222 PolarHBondContact N-OD2 2.77Å; G219-D222 WeakPolarHBondContact O-CB 3.21Å; G219-D222 PolarHBondContact O-N 2.81Å; G219-I246 WeakPolarHBondContact O-CD1 3.49Å | ||
| 220 | S | 70.1 | Confident | 76.8 | Confident | 112 Ų | 112 | 41 Ų | 41 | 78% | 0.783 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | -57 | -26.4 | -177.6 | 55.6 | 0 | 0 | 0 | 0 | 114.6 | D222 | S220-D222 VanDerWaalsContact C-N 3.27Å; S220-D222 PolarHBondContact O-N 3Å |
| 221 | S | 71.8 | Confident | 76.7 | Confident | 86 Ų | 86 | 41.2 Ų | 41.2 | 60% | 0.601 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -74.2 | -14 | 175.1 | 53.9 | 0 | 0 | 0 | 0 | 114.5 | R179 G219 | R179-S221 PolarHBondContact NH1-O 2.81Å; G219-S221 PolarHBondContact O-N 2.76Å |
| 222 | D | 74.1 | Confident | 76.3 | Confident | 34 Ų | 34 | 40.5 Ų | 40.5 | 18% | 0.182 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -97.6 | -0.8 | -170.5 | -56.5 | -34.7 | 0 | 0 | 0 | 112.6 | M216 G219 S220 G224 Y226 | M216-D222 HydrophobicContact CE-CB 3.72Å; G219-D222 PolarHBondContact N-OD2 2.77Å; G219-D222 WeakPolarHBondContact O-CB 3.21Å; G219-D222 PolarHBondContact O-N 2.81Å; S220-D222 VanDerWaalsContact C-N 3.27Å; S220-D222 PolarHBondContact O-N 3Å; D222-G224 PolarHBondContact O-N 3.2Å; D222-Y226 VanDerWaalsContact O-CE2 3.3Å; D222-Y226 WeakPolarHBondContact O-CE2 3.48Å; D222-Y226 PolarHBondContact O-OH 3.04Å |
| 223 | V | 76.9 | Confident | 75.8 | Confident | 59 Ų | 59 | 41 Ų | 41 | 36% | 0.358 | 25% | 0.254 | S | S | . | . | trans | -57.2 | 134.7 | 171.5 | 176 | 0 | 0 | 0 | 0 | 109.6 | R179 L244 I246 | R179-V223 PolarHBondContact NH1-O 2.89Å; V223-L244 WeakPolarHBondContact CA-O 2.88Å; V223-I246 HydrophobicContact CG2-CD1 4.45Å; V223-I246 HydrophobicContact CG2-CG1 4.43Å | ||
| 224 | G | 77.6 | Confident | 75.1 | Confident | 6 Ų | 6 | 40.4 Ų | 40.4 | 6% | 0.062 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 155 | -179.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113 | D222 N243 L244 | D222-G224 PolarHBondContact O-N 3.2Å; G224-N243 PolarHBondContact O-OD1 3.17Å; G224-L244 PolarHBondContact N-O 3.01Å; G224-L244 PolarHBondContact O-N 3.33Å |
| 225 | T | 79.8 | Confident | 74.5 | Confident | 36 Ų | 36 | 43 Ų | 43 | 22% | 0.221 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 123.5 | 177 | -52.3 | 0 | 0 | 0 | 0 | 110.3 | R179 A180 Y227 | R179-T225 CarbonylContact C-O 3.58Å; R179-T225 WeakPolarHBondContact CA-O 3.28Å; A180-T225 PolarHBondContact N-O 2.69Å; A180-T225 PolarHBondContact O-N 3.13Å; T225-Y227 HydrophobicContact CG2-CD2 4.22Å; T225-Y227 HydrophobicContact CG2-CE1 4.14Å; T225-Y227 HydrophobicContact CG2-CE2 3.48Å; T225-Y227 VanDerWaalsContact CG2-CE2 3.48Å; T225-Y227 VanDerWaalsContact CG2-CZ 3.44Å; T225-Y227 WeakPolarHBondContact CG2-OH 3.4Å |
| 226 | Y | 79.4 | Confident | 74.4 | Confident | 3 Ų | 3 | 40.6 Ų | 40.6 | 1% | 0.012 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 131.2 | 179.5 | -69.2 | -110.5 | 0 | 0 | 0 | 109.4 | Q140 L156 I178 R179 I190 M216 D222 G241 A242 L244 | Q140-Y226 PolarHBondContact NE2-O 3.49Å; L156-Y226 VanDerWaalsContact CD1-CB 3.49Å; L156-Y226 HydrophobicContact CD1-CD1 3.63Å; L156-Y226 HydrophobicContact CD1-CD2 4.46Å; L156-Y226 HydrophobicContact CD1-CE1 4.49Å; L156-Y226 HydrophobicContact CD1-CG 3.62Å; I178-Y226 CarbonylContact O-C 3.56Å; I178-Y226 WeakPolarHBondContact O-CA 3.43Å; R179-Y226 WeakPolarHBondContact CD-OH 3.38Å; R179-Y226 HydrophobicContact CG-CD1 4.49Å; R179-Y226 HydrophobicContact CG-CD2 4.41Å; R179-Y226 HydrophobicContact CG-CE1 4.15Å; R179-Y226 HydrophobicContact CG-CE2 3.99Å; I190-Y226 HydrophobicContact CD1-CD1 3.37Å; I190-Y226 HydrophobicContact CD1-CE1 3.07Å; I190-Y226 HydrophobicContact CD1-CG 4.49Å; M216-Y226 HydrophobicContact CE-CE1 4.04Å; M216-Y226 WeakPolarHBondContact CE-OH 3.44Å; D222-Y226 VanDerWaalsContact O-CE2 3.3Å; D222-Y226 WeakPolarHBondContact O-CE2 3.48Å; D222-Y226 PolarHBondContact O-OH 3.04Å; Y226-G241 CarbonylContact O-C 3.58Å; Y226-G241 WeakPolarHBondContact O-CA 3.49Å; Y226-A242 PolarHBondContact N-O 3.14Å; Y226-A242 PolarHBondContact O-N 2.7Å; Y226-L244 HydrophobicContact CD2-CB 3.99Å; Y226-L244 HydrophobicContact CE2-CB 3.74Å; Y226-L244 HydrophobicContact CE2-CD2 3.82Å; Y226-L244 HydrophobicContact CE2-CG 4.42Å |
| 227 | Y | 82.2 | Confident | 74.5 | Confident | 72 Ų | 72 | 40.4 Ų | 40.4 | 28% | 0.282 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 135.3 | 176.5 | -60.9 | -91.2 | 0 | 0 | 0 | 109.3 | W177 I178 A180 T225 G241 | W177-Y227 WeakPolarHBondContact CA-O 3.49Å; I178-Y227 PolarHBondContact N-O 2.98Å; I178-Y227 PolarHBondContact O-N 3.36Å; A180-Y227 HydrophobicContact CB-CD2 4.46Å; A180-Y227 HydrophobicContact CB-CE2 3.84Å; T225-Y227 HydrophobicContact CG2-CD2 4.22Å; T225-Y227 HydrophobicContact CG2-CE1 4.14Å; T225-Y227 HydrophobicContact CG2-CE2 3.48Å; T225-Y227 VanDerWaalsContact CG2-CE2 3.48Å; T225-Y227 VanDerWaalsContact CG2-CZ 3.44Å; T225-Y227 WeakPolarHBondContact CG2-OH 3.4Å; Y227-G241 VanDerWaalsContact CD1-CA 3.5Å |
| 228 | C | 82.9 | Confident | 74.9 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 140.1 | 162.4 | 66.4 | 0 | 0 | 0 | 0 | 110.5 | V138 C158 F176 W177 L238 G239 | V138-C228 VanDerWaalsContact CG1-SG 3.56Å; C158-C228 HydrophobicContact CB-CB 3.41Å; C158-C228 VanDerWaalsContact CB-CB 3.41Å; C158-C228 WeakPolarHBondContact CB-SG 3.14Å; C158-C228 WeakPolarHBondContact SG-CB 3.37Å; C158-C228 CovalentContact SG-SG 2.04Å; C158-C228 PolarHBondContact SG-SG 2.99Å; F176-C228 CarbonylContact O-C 3.54Å; F176-C228 WeakPolarHBondContact O-CA 3.5Å; W177-C228 HydrophobicContact CD2-CB 4.13Å; W177-C228 HydrophobicContact CE3-CB 3.9Å; W177-C228 HydrophobicContact CH2-CB 3.81Å; W177-C228 HydrophobicContact CZ2-CB 4.05Å; W177-C228 HydrophobicContact CZ3-CB 3.74Å; C228-L238 CarbonylContact O-C 3.49Å; C228-L238 WeakPolarHBondContact O-CA 3.47Å; C228-G239 PolarHBondContact O-N 3.06Å |
| 229 | A | 81.3 | Confident | 75.5 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 127.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | I3 M175 F176 I178 I236 L237 L238 | I3-A229 HydrophobicContact CD1-CB 3.83Å; M175-A229 WeakPolarHBondContact CA-O 3.4Å; F176-A229 HydrophobicContact CB-CB 4.4Å; F176-A229 PolarHBondContact N-O 3.48Å; F176-A229 PolarHBondContact O-N 3.01Å; I178-A229 HydrophobicContact CD1-CB 3.75Å; A229-I236 HydrophobicContact CB-CG2 4.1Å; A229-L237 CarbonylContact C-O 3.6Å; A229-L237 WeakPolarHBondContact CA-O 3.37Å; A229-L238 HydrophobicContact CB-CG 4.38Å |
| 230 | V | 78.3 | Confident | 76 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 122.1 | 176.9 | -177.7 | 0 | 0 | 0 | 0 | 108.7 | V138 F160 P173 S174 M175 I236 L237 | V138-V230 HydrophobicContact CG2-CB 3.95Å; V138-V230 HydrophobicContact CG2-CG2 3.79Å; F160-V230 HydrophobicContact CB-CG2 4.4Å; F160-V230 HydrophobicContact CD1-CG1 4.49Å; F160-V230 HydrophobicContact CD2-CB 4.28Å; F160-V230 HydrophobicContact CD2-CG1 3.76Å; F160-V230 HydrophobicContact CD2-CG2 4.47Å; F160-V230 HydrophobicContact CE2-CG1 4.02Å; F160-V230 HydrophobicContact CG-CG1 4.02Å; P173-V230 HydrophobicContact CB-CG1 4.12Å; S174-V230 CarbonylContact O-C 3.55Å; S174-V230 WeakPolarHBondContact O-CA 3.46Å; M175-V230 HydrophobicContact CG-CG2 4.31Å; V230-I236 WeakPolarHBondContact O-CA 3.4Å; V230-L237 PolarHBondContact N-O 3.28Å; V230-L237 PolarHBondContact O-N 2.92Å |
| 231 | A | 75.9 | Confident | 76.5 | Confident | 20 Ų | 20 | 39.8 Ų | 39.8 | 17% | 0.165 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 121.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | P173 S174 F176 E235 I236 | P173-A231 WeakPolarHBondContact CA-O 3.22Å; S174-A231 PolarHBondContact N-O 2.88Å; S174-A231 PolarHBondContact O-N 2.9Å; F176-A231 HydrophobicContact CE2-CB 3.91Å; A231-E235 WeakPolarHBondContact CA-O 3.26Å; A231-I236 HydrophobicContact CB-CG1 4.26Å |
| 232 | T | 72.8 | Confident | 77 | Confident | 14 Ų | 14 | 35.7 Ų | 35.7 | 9% | 0.086 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 140.6 | -179.8 | -176 | 0 | 0 | 0 | 0 | 109.3 | Y136 F160 G234 E235 L237 | Y136-T232 HydrophobicContact CD2-CG2 3.82Å; Y136-T232 HydrophobicContact CE2-CG2 4.02Å; Y136-T232 HydrophobicContact CG-CG2 4.36Å; F160-T232 HydrophobicContact CE2-CG2 3.94Å; F160-T232 HydrophobicContact CZ-CG2 3.74Å; T232-G234 PolarHBondContact O-N 3.17Å; T232-G234 VanDerWaalsContact O-N 3.08Å; T232-E235 PolarHBondContact N-O 2.69Å; T232-E235 PolarHBondContact O-N 2.55Å; T232-L237 HydrophobicContact CG2-CD1 4.38Å |
| 233 | C | 70.3 | Confident | 77.2 | Confident | 27 Ų | 27 | 39.2 Ų | 39.2 | 18% | 0.182 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | 35.3 | 174.7 | -63.4 | 0 | 0 | 0 | 0 | 115.4 | Y136 C169 E235 | Y136-C233 HydrophobicContact CE2-CB 4.11Å; Y136-C233 PolarHBondContact OH-SG 2.97Å; C169-C233 HydrophobicContact CB-CB 4.15Å; C169-C233 WeakPolarHBondContact CB-SG 3.41Å; C169-C233 WeakPolarHBondContact SG-CA 3.41Å; C169-C233 WeakPolarHBondContact SG-CB 3.28Å; C169-C233 CovalentContact SG-SG 2.02Å; C169-C233 PolarHBondContact SG-SG 2.84Å; C233-E235 PolarHBondContact O-N 3.01Å |
| 234 | G | 62.7 | Low | 77.2 | Confident | 51 Ų | 51 | 37 Ų | 37 | 53% | 0.526 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.7 | -0.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | K2 T232 | K2-G234 WeakPolarHBondContact CE-O 3.01Å; K2-G234 PolarHBondContact NZ-O 3.33Å; T232-G234 PolarHBondContact O-N 3.17Å; T232-G234 VanDerWaalsContact O-N 3.08Å |
| 235 | E | 65.8 | Low | 76.9 | Confident | 77 Ų | 77 | 41.4 Ų | 41.4 | 36% | 0.36 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 157.2 | 176.2 | -62.3 | -174.7 | 151.4 | 0 | 0 | 111.4 | A231 T232 C233 | A231-E235 WeakPolarHBondContact CA-O 3.26Å; T232-E235 PolarHBondContact N-O 2.69Å; T232-E235 PolarHBondContact O-N 2.55Å; C233-E235 PolarHBondContact O-N 3.01Å |
| 236 | I | 73.7 | Confident | 76.2 | Confident | 45 Ų | 45 | 46 Ų | 46 | 23% | 0.231 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 125.9 | 170.2 | -59.7 | -174.4 | 0 | 0 | 0 | 108.5 | K2 I3 A229 V230 A231 L238 | K2-I236 HydrophobicContact CB-CD1 3.68Å; K2-I236 HydrophobicContact CG-CD1 4.4Å; I3-I236 HydrophobicContact CB-CD1 4.46Å; I3-I236 HydrophobicContact CD1-CD1 3.99Å; I3-I236 HydrophobicContact CD1-CG2 3.8Å; I3-I236 HydrophobicContact CG1-CD1 3.82Å; A229-I236 HydrophobicContact CB-CG2 4.1Å; V230-I236 WeakPolarHBondContact O-CA 3.4Å; A231-I236 HydrophobicContact CB-CG1 4.26Å; I236-L238 HydrophobicContact CG2-CD1 4.13Å |
| 237 | L | 76.7 | Confident | 76 | Confident | 39 Ų | 39 | 48.2 Ų | 48.2 | 20% | 0.204 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 122.4 | 178.5 | -58.8 | 165.9 | 0 | 0 | 0 | 108.5 | Y136 V138 F160 A229 V230 T232 | Y136-L237 HydrophobicContact CD2-CD1 4.46Å; Y136-L237 HydrophobicContact CG-CD1 4.3Å; V138-L237 HydrophobicContact CB-CB 4.26Å; V138-L237 HydrophobicContact CG2-CB 3.4Å; V138-L237 VanDerWaalsContact CG2-CB 3.4Å; V138-L237 HydrophobicContact CG2-CD1 4.08Å; V138-L237 HydrophobicContact CG2-CG 4.4Å; F160-L237 HydrophobicContact CE2-CD1 3.93Å; A229-L237 CarbonylContact C-O 3.6Å; A229-L237 WeakPolarHBondContact CA-O 3.37Å; V230-L237 PolarHBondContact N-O 3.28Å; V230-L237 PolarHBondContact O-N 2.92Å; T232-L237 HydrophobicContact CG2-CD1 4.38Å |
| 238 | L | 80.9 | Confident | 75.7 | Confident | 100 Ų | 100 | 46.9 Ų | 46.9 | 52% | 0.524 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 141 | 175.3 | -80.5 | 93.8 | 0 | 0 | 0 | 110.9 | C228 A229 I236 | C228-L238 CarbonylContact O-C 3.49Å; C228-L238 WeakPolarHBondContact O-CA 3.47Å; A229-L238 HydrophobicContact CB-CG 4.38Å; I236-L238 HydrophobicContact CG2-CD1 4.13Å |
| 239 | G | 81.4 | Confident | 75.3 | Confident | 6 Ų | 6 | 49.6 Ų | 49.6 | 6% | 0.062 | 29% | 0.293 | C | S | . | . | trans | -72.9 | 168.9 | 165 | 0 | 0 | 0 | 0 | 0 | 112.1 | C228 G241 | C228-G239 PolarHBondContact O-N 3.06Å; G239-G241 PolarHBondContact O-N 3.27Å | ||
| 240 | N | 81.9 | Confident | 74.9 | Confident | 147 Ų | 147 | 52.5 Ų | 52.5 | 79% | 0.786 | 31% | 0.311 | S | S | * | . | trans | -75.9 | -0.9 | -174.5 | -66.3 | -16.3 | 0 | 0 | 0 | 114.4 | ||||
| 241 | G | 80.1 | Confident | 74.7 | Confident | 13 Ų | 13 | 55.8 Ų | 55.8 | 13% | 0.134 | 33% | 0.33 | C | S | . | . | trans | 83.6 | 150.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y226 Y227 G239 | Y226-G241 CarbonylContact O-C 3.58Å; Y226-G241 WeakPolarHBondContact O-CA 3.49Å; Y227-G241 VanDerWaalsContact CD1-CA 3.5Å; G239-G241 PolarHBondContact O-N 3.27Å | ||
| 242 | A | 81.3 | Confident | 74.6 | Confident | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.008 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 120.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 107.2 | L156 Y226 | L156-A242 HydrophobicContact CD2-CB 3.68Å; Y226-A242 PolarHBondContact N-O 3.14Å; Y226-A242 PolarHBondContact O-N 2.7Å |
| 243 | N | 79.1 | Confident | 74.8 | Confident | 108 Ų | 108 | 61.3 Ų | 61.3 | 58% | 0.578 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 128.8 | 176.8 | -163.5 | -15.7 | 0 | 0 | 0 | 109 | G224 | G224-N243 PolarHBondContact O-OD1 3.17Å |
| 244 | L | 77.3 | Confident | 75.1 | Confident | 13 Ų | 13 | 63.9 Ų | 63.9 | 7% | 0.068 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 110.9 | 171.8 | 178 | 56.8 | 0 | 0 | 0 | 108.7 | V154 A218 V223 G224 Y226 | V154-L244 HydrophobicContact CB-CD1 4.4Å; V154-L244 HydrophobicContact CG1-CD1 4.03Å; V154-L244 HydrophobicContact CG1-CD2 4.4Å; V154-L244 HydrophobicContact CG2-CD1 3.67Å; V154-L244 HydrophobicContact CG2-CD2 4.33Å; A218-L244 HydrophobicContact CB-CD2 3.96Å; V223-L244 WeakPolarHBondContact CA-O 2.88Å; G224-L244 PolarHBondContact N-O 3.01Å; G224-L244 PolarHBondContact O-N 3.33Å; Y226-L244 HydrophobicContact CD2-CB 3.99Å; Y226-L244 HydrophobicContact CE2-CB 3.74Å; Y226-L244 HydrophobicContact CE2-CD2 3.82Å; Y226-L244 HydrophobicContact CE2-CG 4.42Å |
| 245 | S | 70.1 | Confident | 76.1 | Confident | 98 Ų | 98 | 65 Ų | 65 | 69% | 0.685 | 36% | 0.36 | S | S | * | . | trans | -112.6 | 130.6 | 168.3 | 55.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 246 | I | 65.4 | Low | 77.1 | Confident | 133 Ų | 133 | 63.9 Ų | 63.9 | 68% | 0.682 | 36% | 0.36 | S | S | * | . | trans | -102.6 | 0 | 172.1 | -57.6 | 171 | 0 | 0 | 0 | 107.8 | A218 G219 V223 | A218-I246 HydrophobicContact CB-CD1 3.79Å; A218-I246 HydrophobicContact CB-CG1 4.3Å; G219-I246 WeakPolarHBondContact O-CD1 3.49Å; V223-I246 HydrophobicContact CG2-CD1 4.45Å; V223-I246 HydrophobicContact CG2-CG1 4.43Å |
Retrieved 246 of 246 residues in 166.9 ms
(Link to these results)