| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 45.6 | Very low | 68 | Low | 223 Ų | 223 | 92.8 Ų | 92.8 | 100% | 1.099 | 54% | 0.538 | S | S | * | . | 0 | -22.5 | 0 | -69.2 | -83 | -167.8 | 0 | 0 | 113.5 | S4 | M1-S4 PolarHBondContact O-OG 3.03Š| |||
| 2 | A | 48 | Very low | 69.4 | Low | 93 Ų | 93 | 97.6 Ų | 97.6 | 77% | 0.769 | 55% | 0.551 | S | S | * | * | trans | -82.4 | -16.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 3 | V | 51.7 | Low | 70.7 | Confident | 109 Ų | 109 | 100.6 Ų | 100.6 | 66% | 0.661 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -85.3 | -9.2 | -174.4 | -133.3 | 0 | 0 | 0 | 0 | 114 | ||
| 4 | S | 60.7 | Low | 72.1 | Confident | 62 Ų | 62 | 93.5 Ų | 93.5 | 43% | 0.434 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -83 | -23.3 | -171.2 | 57.3 | 0 | 0 | 0 | 0 | 114.5 | M1 R8 | M1-S4 PolarHBondContact O-OG 3.03Å; S4-R8 WeakPolarHBondContact O-CB 3.05Å; S4-R8 VanDerWaalsContact O-CG 3.3Å; S4-R8 WeakPolarHBondContact O-CG 3.36Å; S4-R8 PolarHBondContact O-N 3.49Å |
| 5 | A | 68.2 | Low | 73.3 | Confident | 68 Ų | 68 | 90.7 Ų | 90.7 | 56% | 0.562 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -74.7 | -45.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L7 R8 S9 | A5-L7 PolarHBondContact O-N 2.82Å; A5-R8 PolarHBondContact O-N 3.18Å; A5-S9 PolarHBondContact O-N 3.43Å |
| 6 | P | 73.6 | Confident | 74.6 | Confident | 88 Ų | 88 | 85 Ų | 85 | 57% | 0.571 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -65.4 | -39.4 | 178 | -21 | 33.5 | 0 | 0 | 0 | 112.9 | S9 L10 | P6-S9 PolarHBondContact O-N 2.98Å; P6-L10 PolarHBondContact O-N 3.43Å; P6-L10 VanDerWaalsContact O-N 3.08Å |
| 7 | L | 76.6 | Confident | 75.6 | Confident | 39 Ų | 39 | 82.9 Ų | 82.9 | 20% | 0.204 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -63.3 | -43.9 | 177.2 | -93.6 | 165.7 | 0 | 0 | 0 | 111.8 | A5 S9 L10 E11 L81 | A5-L7 PolarHBondContact O-N 2.82Å; L7-S9 PolarHBondContact O-N 3.09Å; L7-L10 PolarHBondContact O-N 2.91Å; L7-E11 VanDerWaalsContact O-CG 3.23Å; L7-E11 WeakPolarHBondContact O-CG 3.38Å; L7-E11 PolarHBondContact O-N 2.75Å; L7-L81 HydrophobicContact CD2-CD1 4.34Å |
| 8 | R | 77 | Confident | 76.5 | Confident | 171 Ų | 171 | 81.8 Ų | 81.8 | 65% | 0.645 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -61.6 | -42.9 | 176.7 | -78.1 | -179.3 | 177.4 | -174.3 | -0.7 | 112.9 | S4 A5 L10 E11 E12 | S4-R8 WeakPolarHBondContact O-CB 3.05Å; S4-R8 VanDerWaalsContact O-CG 3.3Å; S4-R8 WeakPolarHBondContact O-CG 3.36Å; S4-R8 PolarHBondContact O-N 3.49Å; A5-R8 PolarHBondContact O-N 3.18Å; R8-L10 VanDerWaalsContact C-N 3.28Å; R8-L10 PolarHBondContact O-N 3.47Å; R8-E11 PolarHBondContact O-N 3.1Å; R8-E12 WeakPolarHBondContact O-CG 3.43Å; R8-E12 PolarHBondContact O-N 2.87Å; R8-E12 VanDerWaalsContact O-N 3.1Å |
| 9 | S | 79.5 | Confident | 77.3 | Confident | 65 Ų | 65 | 80.7 Ų | 80.7 | 46% | 0.455 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -59.7 | -40.6 | 175.4 | -171.2 | 0 | 0 | 0 | 0 | 111.7 | A5 P6 L7 E13 | A5-S9 PolarHBondContact O-N 3.43Å; P6-S9 PolarHBondContact O-N 2.98Å; L7-S9 PolarHBondContact O-N 3.09Å; S9-E13 PolarHBondContact O-N 3Å |
| 10 | L | 82.1 | Confident | 78 | Confident | 58 Ų | 58 | 83.5 Ų | 83.5 | 30% | 0.304 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -72.2 | -35.8 | 178.8 | -168.7 | 67.3 | 0 | 0 | 0 | 112.2 | P6 L7 R8 E12 E13 V14 I78 | P6-L10 PolarHBondContact O-N 3.43Å; P6-L10 VanDerWaalsContact O-N 3.08Å; L7-L10 PolarHBondContact O-N 2.91Å; R8-L10 VanDerWaalsContact C-N 3.28Å; R8-L10 PolarHBondContact O-N 3.47Å; L10-E12 VanDerWaalsContact C-N 3.31Å; L10-E12 PolarHBondContact O-N 3.42Å; L10-E13 PolarHBondContact O-N 3.18Å; L10-V14 WeakPolarHBondContact O-CG2 3.32Å; L10-V14 PolarHBondContact O-N 2.89Å; L10-I78 HydrophobicContact CD2-CD1 3.83Å; L10-I78 HydrophobicContact CD2-CG1 3.88Å; L10-I78 HydrophobicContact CG-CD1 3.78Å; L10-I78 HydrophobicContact CG-CG1 4.36Å |
| 11 | E | 85.3 | Confident | 78.6 | Confident | 45 Ų | 45 | 83.7 Ų | 83.7 | 21% | 0.21 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -60.3 | -41.2 | 174.5 | -73.5 | 176.8 | -157.6 | 0 | 0 | 111.7 | L7 R8 E13 V14 T15 Y22 I78 K82 | L7-E11 VanDerWaalsContact O-CG 3.23Å; L7-E11 WeakPolarHBondContact O-CG 3.38Å; L7-E11 PolarHBondContact O-N 2.75Å; R8-E11 PolarHBondContact O-N 3.1Å; E11-E13 VanDerWaalsContact C-N 3.31Å; E11-E13 PolarHBondContact O-N 3.33Å; E11-V14 WeakPolarHBondContact O-CG2 3.48Å; E11-V14 PolarHBondContact O-N 3.04Å; E11-T15 WeakPolarHBondContact O-CB 3.42Å; E11-T15 PolarHBondContact O-N 3.03Å; E11-T15 PolarHBondContact O-OG1 3.26Å; E11-Y22 HydrophobicContact CB-CE1 4.39Å; E11-Y22 HydrophobicContact CG-CE1 4.19Å; E11-Y22 VanDerWaalsContact CG-OH 3.28Å; E11-Y22 WeakPolarHBondContact CG-OH 3.45Å; E11-I78 HydrophobicContact CG-CG2 3.95Å; E11-K82 WeakPolarHBondContact OE1-CE 3.19Å; E11-K82 IonicContact OE1-NZ 3.97Å; E11-K82 PolarHBondContact OE1-NZ 2.95Å; E11-K82 VanDerWaalsContact OE1-NZ 3.07Å; E11-K82 IonicContact OE2-NZ 3.88Å; E11-K82 PolarHBondContact OE2-NZ 3.1Å |
| 12 | E | 84.3 | Confident | 80.7 | Confident | 150 Ų | 150 | 74.4 Ų | 74.4 | 70% | 0.701 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -62.5 | -37.2 | 176 | -71.4 | 173.2 | -168.1 | 0 | 0 | 112 | R8 L10 V14 T15 | R8-E12 WeakPolarHBondContact O-CG 3.43Å; R8-E12 PolarHBondContact O-N 2.87Å; R8-E12 VanDerWaalsContact O-N 3.1Å; L10-E12 VanDerWaalsContact C-N 3.31Å; L10-E12 PolarHBondContact O-N 3.42Å; E12-V14 VanDerWaalsContact C-N 3.33Å; E12-V14 PolarHBondContact O-N 3.05Å; E12-T15 PolarHBondContact O-N 2.91Å |
| 13 | E | 86.5 | Confident | 82.7 | Confident | 137 Ų | 137 | 70.2 Ų | 70.2 | 64% | 0.64 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -69.2 | -27.3 | 178.3 | -70.9 | -173.3 | -169.2 | 0 | 0 | 113.9 | S9 L10 E11 | S9-E13 PolarHBondContact O-N 3Å; L10-E13 PolarHBondContact O-N 3.18Å; E11-E13 VanDerWaalsContact C-N 3.31Å; E11-E13 PolarHBondContact O-N 3.33Å |
| 14 | V | 90 | Very high | 84.5 | Confident | 1 Ų | 1 | 71.1 Ų | 71.1 | 1% | 0.006 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | 11.9 | 179.7 | -61.3 | 0 | 0 | 0 | 0 | 113.7 | L10 E11 E12 Y22 L23 L74 V75 I78 | L10-V14 WeakPolarHBondContact O-CG2 3.32Å; L10-V14 PolarHBondContact O-N 2.89Å; E11-V14 WeakPolarHBondContact O-CG2 3.48Å; E11-V14 PolarHBondContact O-N 3.04Å; E12-V14 VanDerWaalsContact C-N 3.33Å; E12-V14 PolarHBondContact O-N 3.05Å; V14-Y22 HydrophobicContact CB-CD1 4.48Å; V14-Y22 HydrophobicContact CG2-CD1 3.53Å; V14-Y22 HydrophobicContact CG2-CE1 3.58Å; V14-Y22 WeakPolarHBondContact O-CA 3.13Å; V14-L23 WeakPolarHBondContact O-CG 3.31Å; V14-L23 PolarHBondContact O-N 3.31Å; V14-L74 HydrophobicContact CG1-CB 4.14Å; V14-V75 HydrophobicContact CB-CG2 3.77Å; V14-V75 HydrophobicContact CG1-CG2 4.33Å; V14-V75 HydrophobicContact CG2-CG2 4.21Å; V14-I78 HydrophobicContact CB-CD1 4.29Å; V14-I78 HydrophobicContact CG1-CD1 3.96Å; V14-I78 HydrophobicContact CG2-CD1 3.42Å; V14-I78 VanDerWaalsContact CG2-CD1 3.42Å |
| 15 | T | 90.7 | Very high | 86 | Confident | 51 Ų | 51 | 72.1 Ų | 72.1 | 31% | 0.313 | 38% | 0.378 | S | S | . | . | B | Isolated β-bridge | trans | -94.4 | 130.4 | 178.1 | -64.1 | 0 | 0 | 0 | 0 | 110.5 | E11 E12 S17 | E11-T15 WeakPolarHBondContact O-CB 3.42Å; E11-T15 PolarHBondContact O-N 3.03Å; E11-T15 PolarHBondContact O-OG1 3.26Å; E12-T15 PolarHBondContact O-N 2.91Å; T15-S17 PolarHBondContact O-N 2.99Å |
| 16 | C | 93.7 | Very high | 87.1 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 35% | 0.352 | C | S | . | . | trans | -72.2 | 121.8 | 174.1 | -175.7 | 0 | 0 | 0 | 0 | 110.5 | I18 C19 L20 D21 L23 C36 | C16-I18 PolarHBondContact O-N 3.42Å; C16-C19 VanDerWaalsContact CB-SG 3.54Å; C16-L20 WeakPolarHBondContact O-CA 3.35Å; C16-L20 PolarHBondContact O-N 2.86Å; C16-D21 WeakPolarHBondContact CB-O 3.44Å; C16-D21 PolarHBondContact N-O 2.89Å; C16-L23 HydrophobicContact CB-CD2 3.75Å; C16-L23 HydrophobicContact CB-CG 4.42Å; C16-C36 VanDerWaalsContact CB-SG 3.5Å; C16-C36 PolarHBondContact SG-N 2.72Å; C16-C36 VanDerWaalsContact SG-N 3.42Å | ||
| 17 | S | 92.4 | Very high | 88.1 | Confident | 49 Ų | 49 | 65 Ų | 65 | 34% | 0.343 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | 4.8 | 179.1 | 81.6 | 0 | 0 | 0 | 0 | 114.9 | T15 F35 L55 | T15-S17 PolarHBondContact O-N 2.99Å; S17-F35 VanDerWaalsContact OG-CE1 3.3Å; S17-F35 WeakPolarHBondContact OG-CE1 3.46Å; S17-L55 WeakPolarHBondContact OG-CD2 3.37Å; S17-L55 WeakPolarHBondContact OG-CG 3.41Å |
| 18 | I | 91 | Very high | 89 | Confident | 64 Ų | 64 | 64.8 Ų | 64.8 | 33% | 0.328 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102 | -55.7 | 175.7 | -61.4 | 168 | 0 | 0 | 0 | 110.2 | C16 F35 C39 I43 P54 | C16-I18 PolarHBondContact O-N 3.42Å; I18-F35 HydrophobicContact CD1-CB 3.97Å; I18-F35 HydrophobicContact CD1-CD1 3.39Å; I18-F35 HydrophobicContact CD1-CE1 3.98Å; I18-F35 HydrophobicContact CD1-CG 3.73Å; I18-F35 HydrophobicContact CG1-CD1 3.61Å; I18-F35 HydrophobicContact CG1-CE1 4.01Å; I18-F35 HydrophobicContact CG1-CG 4.43Å; I18-C39 HydrophobicContact CB-CB 3.77Å; I18-C39 HydrophobicContact CD1-CB 3.66Å; I18-C39 HydrophobicContact CG1-CB 4.31Å; I18-C39 HydrophobicContact CG2-CB 3.74Å; I18-I43 HydrophobicContact CD1-CD1 4.19Å; I18-P54 HydrophobicContact CD1-CG 3.92Å; I18-P54 HydrophobicContact CG1-CB 4.44Å; I18-P54 HydrophobicContact CG1-CG 4.1Å |
| 19 | C | 92.2 | Very high | 89.7 | Confident | 60 Ų | 60 | 56.9 Ų | 56.9 | 41% | 0.405 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -9.5 | 178.6 | 66 | 0 | 0 | 0 | 0 | 114 | C16 D21 | C16-C19 VanDerWaalsContact CB-SG 3.54Å; C19-D21 PolarHBondContact O-N 3.47Å |
| 20 | L | 90.9 | Very high | 90.4 | Very high | 137 Ų | 137 | 57.5 Ų | 57.5 | 72% | 0.717 | 30% | 0.295 | S | S | * | . | S | Bend | trans | 58.1 | 29.1 | -178.1 | -50 | 178.1 | 0 | 0 | 0 | 113.2 | C16 | C16-L20 WeakPolarHBondContact O-CA 3.35Å; C16-L20 PolarHBondContact O-N 2.86Å |
| 21 | D | 90.3 | Very high | 90.9 | Very high | 87 Ų | 87 | 56.3 Ų | 56.3 | 47% | 0.465 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -126.3 | 168.1 | 178.3 | -162.3 | -2 | 0 | 0 | 0 | 108.9 | C16 C19 | C16-D21 WeakPolarHBondContact CB-O 3.44Å; C16-D21 PolarHBondContact N-O 2.89Å; C19-D21 PolarHBondContact O-N 3.47Å |
| 22 | Y | 89.9 | Confident | 91.3 | Very high | 28 Ų | 28 | 56.5 Ų | 56.5 | 11% | 0.11 | 31% | 0.305 | C | S | . | . | B | Isolated β-bridge | trans | -53.1 | 141.7 | 174.6 | -73 | -60.2 | 0 | 0 | 0 | 111.9 | E11 V14 R24 V75 I78 K82 | E11-Y22 HydrophobicContact CB-CE1 4.39Å; E11-Y22 HydrophobicContact CG-CE1 4.19Å; E11-Y22 VanDerWaalsContact CG-OH 3.28Å; E11-Y22 WeakPolarHBondContact CG-OH 3.45Å; V14-Y22 HydrophobicContact CB-CD1 4.48Å; V14-Y22 HydrophobicContact CG2-CD1 3.53Å; V14-Y22 HydrophobicContact CG2-CE1 3.58Å; V14-Y22 WeakPolarHBondContact O-CA 3.13Å; Y22-R24 PolarHBondContact O-N 3.33Å; Y22-V75 HydrophobicContact CD1-CG1 4.43Å; Y22-V75 HydrophobicContact CD1-CG2 4.43Å; Y22-V75 HydrophobicContact CG-CG1 4.12Å; Y22-I78 HydrophobicContact CE1-CG2 4.08Å; Y22-I78 WeakPolarHBondContact OH-CG2 3.44Å; Y22-K82 WeakPolarHBondContact OH-CE 3.33Å; Y22-K82 PolarHBondContact OH-NZ 3.38Å |
| 23 | L | 90.2 | Very high | 91.8 | Very high | 6 Ų | 6 | 52.3 Ų | 52.3 | 3% | 0.031 | 29% | 0.286 | C | S | . | . | trans | -58.5 | 108.5 | -180 | -73.2 | 164.2 | 0 | 0 | 0 | 111.5 | V14 C16 P26 V34 F35 L71 V75 | V14-L23 WeakPolarHBondContact O-CG 3.31Å; V14-L23 PolarHBondContact O-N 3.31Å; C16-L23 HydrophobicContact CB-CD2 3.75Å; C16-L23 HydrophobicContact CB-CG 4.42Å; L23-P26 HydrophobicContact CB-CB 4Å; L23-P26 HydrophobicContact CB-CG 4.47Å; L23-P26 HydrophobicContact CD1-CB 4.27Å; L23-P26 HydrophobicContact CD2-CB 4.5Å; L23-P26 HydrophobicContact CG-CB 4.5Å; L23-V34 HydrophobicContact CD1-CG1 3.97Å; L23-V34 HydrophobicContact CD2-CG1 4.11Å; L23-F35 VanDerWaalsContact CD2-C 3.45Å; L23-L71 HydrophobicContact CD1-CD1 4.17Å; L23-V75 HydrophobicContact CB-CG2 4.25Å | ||
| 24 | R | 90.5 | Very high | 92.1 | Very high | 127 Ų | 127 | 47.6 Ų | 47.6 | 48% | 0.479 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -94.7 | 118.8 | 170.1 | -62.9 | -65.2 | -177.2 | -160.6 | -9.3 | 109.1 | Y22 C36 E79 | Y22-R24 PolarHBondContact O-N 3.33Å; R24-C36 PolarHBondContact N-SG 3.45Å; R24-C36 VanDerWaalsContact O-CA 3.28Å; R24-C36 WeakPolarHBondContact O-CA 3.46Å; R24-C36 VanDerWaalsContact O-CB 3.25Å; R24-C36 WeakPolarHBondContact O-CB 3.48Å; R24-E79 IonicContact CZ-OE1 2.81Å; R24-E79 IonicContact NH1-OE1 3.08Å; R24-E79 PolarHBondContact NH1-OE1 3.46Å; R24-E79 VanDerWaalsContact NH1-OE1 3.14Å; R24-E79 IonicContact NH1-OE2 3.48Å; R24-E79 IonicContact NH2-OE1 2.87Å; R24-E79 PolarHBondContact NH2-OE1 3.33Å |
| 25 | D | 90.3 | Very high | 92.3 | Very high | 84 Ų | 84 | 47.5 Ų | 47.5 | 45% | 0.449 | 27% | 0.265 | S | S | . | . | S | Bend | trans | 52.1 | 64.7 | -173.3 | -167 | 15.3 | 0 | 0 | 0 | 111.2 | V27 R37 | D25-V27 PolarHBondContact O-N 3.03Å; D25-R37 HydrophobicContact CB-CB 3.99Å; D25-R37 WeakPolarHBondContact O-CB 3.47Å; D25-R37 PolarHBondContact O-N 3.02Å; D25-R37 WeakPolarHBondContact OD2-CB 3.4Å; D25-R37 WeakPolarHBondContact OD2-CD 3.48Å |
| 26 | P | 93 | Very high | 92.5 | Very high | 3 Ų | 3 | 45.2 Ų | 45.2 | 2% | 0.019 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 126.5 | -176.3 | 19.2 | -29.7 | 0 | 0 | 0 | 111.6 | L23 V34 V68 L71 A72 | L23-P26 HydrophobicContact CB-CB 4Å; L23-P26 HydrophobicContact CB-CG 4.47Å; L23-P26 HydrophobicContact CD1-CB 4.27Å; L23-P26 HydrophobicContact CD2-CB 4.5Å; L23-P26 HydrophobicContact CG-CB 4.5Å; P26-V34 HydrophobicContact CB-CG1 3.76Å; P26-V68 VanDerWaalsContact CG-O 3.3Å; P26-V68 WeakPolarHBondContact CG-O 3.4Å; P26-V68 PolarHBondContact O-N 3.33Å; P26-L71 HydrophobicContact CB-CB 4.02Å; P26-L71 HydrophobicContact CB-CD1 4.48Å; P26-L71 HydrophobicContact CG-CB 3.91Å; P26-A72 HydrophobicContact CG-CB 3.88Å |
| 27 | V | 94.3 | Very high | 92.5 | Very high | 4 Ų | 4 | 52.2 Ų | 52.2 | 2% | 0.024 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 140.2 | 174.5 | -63.8 | 0 | 0 | 0 | 0 | 110.8 | D25 V34 F35 R37 T40 I65 R66 | D25-V27 PolarHBondContact O-N 3.03Å; V27-V34 WeakPolarHBondContact O-CA 3.37Å; V27-V34 WeakPolarHBondContact O-CG1 3.36Å; V27-F35 WeakPolarHBondContact CG2-O 3.45Å; V27-F35 PolarHBondContact N-O 2.81Å; V27-F35 PolarHBondContact O-N 3.05Å; V27-R37 HydrophobicContact CG1-CB 3.97Å; V27-R37 HydrophobicContact CG1-CG 4.15Å; V27-R37 HydrophobicContact CG2-CB 4.37Å; V27-T40 HydrophobicContact CG2-CG2 3.6Å; V27-I65 HydrophobicContact CB-CG2 3.46Å; V27-I65 VanDerWaalsContact CB-CG2 3.46Å; V27-I65 HydrophobicContact CG1-CG2 3.79Å; V27-I65 HydrophobicContact CG2-CG2 3.59Å; V27-R66 CarbonylContact C-O 3.55Å; V27-R66 WeakPolarHBondContact CA-O 3.3Å |
| 28 | T | 94.8 | Very high | 92.5 | Very high | 34 Ų | 34 | 53.2 Ų | 53.2 | 21% | 0.209 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 147.4 | 169.9 | -174.4 | 0 | 0 | 0 | 0 | 110.5 | I65 R66 V68 | T28-I65 WeakPolarHBondContact O-CA 3.34Å; T28-R66 HydrophobicContact CG2-CB 3.92Å; T28-R66 PolarHBondContact N-O 3.39Å; T28-R66 PolarHBondContact O-N 3.36Å; T28-R66 VanDerWaalsContact O-N 3.1Å; T28-V68 HydrophobicContact CG2-CG2 3.84Å |
| 29 | I | 92.8 | Very high | 92.6 | Very high | 5 Ų | 5 | 50.7 Ų | 50.7 | 3% | 0.026 | 27% | 0.273 | C | S | . | . | trans | -108.4 | 177.1 | 170.1 | 60.6 | 168.2 | 0 | 0 | 0 | 110.7 | C31 G32 H33 F35 T40 C53 F60 I65 | I29-C31 VanDerWaalsContact CD1-SG 3.58Å; I29-C31 PolarHBondContact O-N 3.32Å; I29-G32 PolarHBondContact O-N 3.15Å; I29-H33 WeakPolarHBondContact CG1-O 3.5Å; I29-H33 PolarHBondContact N-O 3.09Å; I29-F35 HydrophobicContact CD1-CD2 4.42Å; I29-F35 HydrophobicContact CD1-CE2 3.7Å; I29-F35 HydrophobicContact CG1-CE2 4.07Å; I29-T40 HydrophobicContact CG2-CG2 4.11Å; I29-C53 HydrophobicContact CD1-CB 3.6Å; I29-F60 HydrophobicContact CB-CB 4.23Å; I29-F60 HydrophobicContact CB-CD2 3.92Å; I29-F60 HydrophobicContact CB-CE2 4.43Å; I29-F60 HydrophobicContact CB-CG 3.99Å; I29-F60 HydrophobicContact CD1-CB 4.49Å; I29-F60 HydrophobicContact CD1-CD1 3.75Å; I29-F60 HydrophobicContact CD1-CE1 4.06Å; I29-F60 HydrophobicContact CD1-CG 4.04Å; I29-F60 HydrophobicContact CG2-CD2 3.78Å; I29-F60 HydrophobicContact CG2-CE2 3.81Å; I29-F60 HydrophobicContact CG2-CG 4.26Å; I29-F60 HydrophobicContact CG2-CZ 4.29Å; I29-I65 HydrophobicContact CG2-CG1 4.28Å | ||
| 30 | D | 92.9 | Very high | 92.5 | Very high | 77 Ų | 77 | 47.9 Ų | 47.9 | 41% | 0.412 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | -29.6 | -173.9 | -73.4 | -37.5 | 0 | 0 | 0 | 115.5 | F60 K61 N64 | D30-F60 HydrophobicContact CB-CB 3.81Å; D30-F60 WeakPolarHBondContact OD2-CA 3.42Å; D30-F60 WeakPolarHBondContact OD2-CB 3.4Å; D30-K61 PolarHBondContact OD2-N 2.97Å; D30-N64 WeakPolarHBondContact OD1-CB 3.36Å; D30-N64 VanDerWaalsContact OD1-CG 3.29Å; D30-N64 PolarHBondContact OD1-ND2 3.04Å |
| 31 | C | 93.8 | Very high | 92.3 | Very high | 33 Ų | 33 | 44.4 Ų | 44.4 | 22% | 0.223 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -0.8 | -179.4 | 66.4 | 0 | 0 | 0 | 0 | 114.6 | I29 H33 C53 K58 | I29-C31 VanDerWaalsContact CD1-SG 3.58Å; I29-C31 PolarHBondContact O-N 3.32Å; C31-H33 PolarHBondContact SG-ND1 3.2Å; C31-C53 PolarHBondContact SG-SG 3.33Å; C31-K58 HydrophobicContact CB-CB 4.09Å; C31-K58 HydrophobicContact CB-CD 3.95Å |
| 32 | G | 92.5 | Very high | 92 | Very high | 49 Ų | 49 | 46.3 Ų | 46.3 | 51% | 0.505 | 25% | 0.251 | S | S | . | . | S | Bend | trans | 86.9 | -7.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | I29 | I29-G32 PolarHBondContact O-N 3.15Š|
| 33 | H | 94.5 | Very high | 91.8 | Very high | 63 Ų | 63 | 46.1 Ų | 46.1 | 29% | 0.292 | 25% | 0.252 | S | S | . | . | trans | -71.2 | 142.6 | 174 | -67.5 | 103.3 | 0 | 0 | 0 | 111.3 | I29 C31 F35 L55 | I29-H33 WeakPolarHBondContact CG1-O 3.5Å; I29-H33 PolarHBondContact N-O 3.09Å; C31-H33 PolarHBondContact SG-ND1 3.2Å; H33-F35 HydrophobicContact CB-CE2 3.62Å; H33-F35 HydrophobicContact CB-CZ 3.72Å; H33-L55 HydrophobicContact CB-CD1 4.05Å; H33-L55 WeakPolarHBondContact CD2-CD1 3.37Å | ||
| 34 | V | 94.1 | Very high | 91.2 | Very high | 37 Ų | 37 | 56.3 Ų | 56.3 | 22% | 0.224 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 137.2 | -175.9 | -173.3 | 0 | 0 | 0 | 0 | 110.9 | L23 P26 V27 L71 | L23-V34 HydrophobicContact CD1-CG1 3.97Å; L23-V34 HydrophobicContact CD2-CG1 4.11Å; P26-V34 HydrophobicContact CB-CG1 3.76Å; V27-V34 WeakPolarHBondContact O-CA 3.37Å; V27-V34 WeakPolarHBondContact O-CG1 3.36Å; V34-L71 HydrophobicContact CB-CD1 4.07Å; V34-L71 HydrophobicContact CG1-CD1 3.66Å; V34-L71 HydrophobicContact CG2-CD1 3.85Å |
| 35 | F | 94.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 170.3 | 176.8 | -48.8 | -87.6 | 0 | 0 | 0 | 110.6 | S17 I18 L23 V27 I29 H33 T40 P54 L55 | S17-F35 VanDerWaalsContact OG-CE1 3.3Å; S17-F35 WeakPolarHBondContact OG-CE1 3.46Å; I18-F35 HydrophobicContact CD1-CB 3.97Å; I18-F35 HydrophobicContact CD1-CD1 3.39Å; I18-F35 HydrophobicContact CD1-CE1 3.98Å; I18-F35 HydrophobicContact CD1-CG 3.73Å; I18-F35 HydrophobicContact CG1-CD1 3.61Å; I18-F35 HydrophobicContact CG1-CE1 4.01Å; I18-F35 HydrophobicContact CG1-CG 4.43Å; L23-F35 VanDerWaalsContact CD2-C 3.45Å; V27-F35 WeakPolarHBondContact CG2-O 3.45Å; V27-F35 PolarHBondContact N-O 2.81Å; V27-F35 PolarHBondContact O-N 3.05Å; I29-F35 HydrophobicContact CD1-CD2 4.42Å; I29-F35 HydrophobicContact CD1-CE2 3.7Å; I29-F35 HydrophobicContact CG1-CE2 4.07Å; H33-F35 HydrophobicContact CB-CE2 3.62Å; H33-F35 HydrophobicContact CB-CZ 3.72Å; F35-T40 HydrophobicContact CB-CG2 3.72Å; F35-T40 HydrophobicContact CD2-CG2 4Å; F35-T40 HydrophobicContact CG-CG2 4.24Å; F35-P54 HydrophobicContact CE1-CB 4.47Å; F35-P54 HydrophobicContact CE1-CG 4.38Å; F35-P54 HydrophobicContact CZ-CG 4.41Å; F35-L55 HydrophobicContact CE1-CD1 3.92Å; F35-L55 HydrophobicContact CE1-CG 4.06Å; F35-L55 HydrophobicContact CZ-CD1 3.89Å; F35-L55 HydrophobicContact CZ-CG 4.06Å |
| 36 | C | 93.8 | Very high | 88.9 | Confident | 2 Ų | 2 | 56.4 Ų | 56.4 | 1% | 0.014 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 144.2 | 168.6 | -55.8 | 0 | 0 | 0 | 0 | 110.3 | C16 R24 S38 C39 T40 | C16-C36 VanDerWaalsContact CB-SG 3.5Å; C16-C36 PolarHBondContact SG-N 2.72Å; C16-C36 VanDerWaalsContact SG-N 3.42Å; R24-C36 PolarHBondContact N-SG 3.45Å; R24-C36 VanDerWaalsContact O-CA 3.28Å; R24-C36 WeakPolarHBondContact O-CA 3.46Å; R24-C36 VanDerWaalsContact O-CB 3.25Å; R24-C36 WeakPolarHBondContact O-CB 3.48Å; C36-S38 VanDerWaalsContact C-N 3.28Å; C36-S38 PolarHBondContact O-N 3.37Å; C36-C39 HydrophobicContact CB-CB 4.01Å; C36-C39 WeakPolarHBondContact O-CB 3.44Å; C36-C39 PolarHBondContact O-N 2.82Å; C36-C39 VanDerWaalsContact O-N 3.08Å; C36-T40 PolarHBondContact O-N 3.24Å |
| 37 | R | 93.3 | Very high | 87.2 | Confident | 147 Ų | 147 | 61.3 Ų | 61.3 | 56% | 0.555 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -57.4 | -40.2 | 177 | -170.5 | 175 | -178 | -140 | 0.4 | 113 | D25 V27 T40 S41 | D25-R37 HydrophobicContact CB-CB 3.99Å; D25-R37 WeakPolarHBondContact O-CB 3.47Å; D25-R37 PolarHBondContact O-N 3.02Å; D25-R37 WeakPolarHBondContact OD2-CB 3.4Å; D25-R37 WeakPolarHBondContact OD2-CD 3.48Å; V27-R37 HydrophobicContact CG1-CB 3.97Å; V27-R37 HydrophobicContact CG1-CG 4.15Å; V27-R37 HydrophobicContact CG2-CB 4.37Å; R37-T40 PolarHBondContact O-N 3.07Å; R37-T40 PolarHBondContact O-OG1 2.82Å; R37-S41 PolarHBondContact O-N 3.26Å; R37-S41 VanDerWaalsContact O-N 3.15Å; R37-S41 PolarHBondContact O-OG 3.22Å |
| 38 | S | 92.9 | Very high | 85.7 | Confident | 70 Ų | 70 | 65 Ų | 65 | 49% | 0.49 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59.1 | -50.5 | 172.8 | 50.5 | 0 | 0 | 0 | 0 | 111.3 | C36 T40 S41 D42 | C36-S38 VanDerWaalsContact C-N 3.28Å; C36-S38 PolarHBondContact O-N 3.37Å; S38-T40 VanDerWaalsContact C-N 3.34Å; S38-T40 PolarHBondContact O-N 3.17Å; S38-S41 WeakPolarHBondContact O-CB 3.23Å; S38-S41 PolarHBondContact O-N 3.37Å; S38-D42 PolarHBondContact O-N 2.87Å |
| 39 | C | 93 | Very high | 84.5 | Confident | 12 Ų | 12 | 69.2 Ų | 69.2 | 8% | 0.081 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -61.1 | -37.6 | 179.6 | -63.9 | 0 | 0 | 0 | 0 | 113.4 | I18 C36 S41 I43 | I18-C39 HydrophobicContact CB-CB 3.77Å; I18-C39 HydrophobicContact CD1-CB 3.66Å; I18-C39 HydrophobicContact CG1-CB 4.31Å; I18-C39 HydrophobicContact CG2-CB 3.74Å; C36-C39 HydrophobicContact CB-CB 4.01Å; C36-C39 WeakPolarHBondContact O-CB 3.44Å; C36-C39 PolarHBondContact O-N 2.82Å; C36-C39 VanDerWaalsContact O-N 3.08Å; C39-S41 VanDerWaalsContact C-N 3.31Å; C39-I43 WeakPolarHBondContact O-CG1 3.21Å |
| 40 | T | 90.4 | Very high | 84 | Confident | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -68.6 | -29.5 | 173.7 | 56.8 | 0 | 0 | 0 | 0 | 113.4 | V27 I29 F35 C36 R37 S38 I43 | V27-T40 HydrophobicContact CG2-CG2 3.6Å; I29-T40 HydrophobicContact CG2-CG2 4.11Å; F35-T40 HydrophobicContact CB-CG2 3.72Å; F35-T40 HydrophobicContact CD2-CG2 4Å; F35-T40 HydrophobicContact CG-CG2 4.24Å; C36-T40 PolarHBondContact O-N 3.24Å; R37-T40 PolarHBondContact O-N 3.07Å; R37-T40 PolarHBondContact O-OG1 2.82Å; S38-T40 VanDerWaalsContact C-N 3.34Å; S38-T40 PolarHBondContact O-N 3.17Å; T40-I43 PolarHBondContact O-N 3.48Å |
| 41 | S | 86.4 | Confident | 83.8 | Confident | 64 Ų | 64 | 73.2 Ų | 73.2 | 45% | 0.448 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -71.1 | -35.3 | -179.7 | -60.9 | 0 | 0 | 0 | 0 | 111.9 | R37 S38 C39 I43 K62 | R37-S41 PolarHBondContact O-N 3.26Å; R37-S41 VanDerWaalsContact O-N 3.15Å; R37-S41 PolarHBondContact O-OG 3.22Å; S38-S41 WeakPolarHBondContact O-CB 3.23Å; S38-S41 PolarHBondContact O-N 3.37Å; C39-S41 VanDerWaalsContact C-N 3.31Å; S41-I43 VanDerWaalsContact C-N 3.25Å; S41-I43 PolarHBondContact O-N 3Å; S41-K62 PolarHBondContact O-NZ 3.48Å |
| 42 | D | 85.5 | Confident | 83.7 | Confident | 128 Ų | 128 | 75 Ų | 75 | 68% | 0.684 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -8.7 | 179.8 | -67.3 | -28 | 0 | 0 | 0 | 114 | S38 R44 | S38-D42 PolarHBondContact O-N 2.87Å; D42-R44 PolarHBondContact O-N 3.49Å |
| 43 | I | 84.7 | Confident | 83.7 | Confident | 24 Ų | 24 | 72.7 Ų | 72.7 | 12% | 0.123 | 39% | 0.393 | C | S | . | . | trans | -68.6 | 100.2 | 174.2 | -58 | 171.9 | 0 | 0 | 0 | 108.9 | I18 C39 T40 S41 P51 P54 F60 | I18-I43 HydrophobicContact CD1-CD1 4.19Å; C39-I43 WeakPolarHBondContact O-CG1 3.21Å; T40-I43 PolarHBondContact O-N 3.48Å; S41-I43 VanDerWaalsContact C-N 3.25Å; S41-I43 PolarHBondContact O-N 3Å; I43-P51 HydrophobicContact CG2-CB 3.74Å; I43-P54 HydrophobicContact CD1-CG 3.87Å; I43-P54 HydrophobicContact CG1-CG 4.47Å; I43-F60 HydrophobicContact CB-CZ 4.46Å; I43-F60 HydrophobicContact CD1-CE1 4.12Å; I43-F60 HydrophobicContact CD1-CZ 3.86Å; I43-F60 HydrophobicContact CG2-CE1 4.36Å; I43-F60 HydrophobicContact CG2-CZ 4.36Å | ||
| 44 | R | 77.4 | Confident | 83.5 | Confident | 220 Ų | 220 | 71.8 Ų | 71.8 | 83% | 0.83 | 39% | 0.393 | S | S | * | . | trans | -85.3 | 133.1 | 174.4 | -67.7 | -171.2 | -175.8 | -170.7 | 2 | 110.9 | D42 | D42-R44 PolarHBondContact O-N 3.49Š| ||
| 45 | P | 71.4 | Confident | 83.3 | Confident | 61 Ų | 61 | 74.1 Ų | 74.1 | 40% | 0.396 | 40% | 0.404 | S | S | . | . | trans | -69.8 | 136.7 | 169.4 | 27.6 | -30.9 | 0 | 0 | 0 | 110.9 | S47 N49 | P45-S47 PolarHBondContact O-N 3.04Å; P45-N49 WeakPolarHBondContact CB-O 3.38Å | ||
| 46 | I | 61 | Low | 83.3 | Confident | 151 Ų | 151 | 76.3 Ų | 76.3 | 77% | 0.774 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -76.5 | 106 | 169.8 | -57.6 | 170.1 | 0 | 0 | 0 | 106.4 | ||
| 47 | S | 57 | Low | 83.1 | Confident | 106 Ų | 106 | 83 Ų | 83 | 74% | 0.741 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 82.9 | 171.9 | -57.1 | 0 | 0 | 0 | 0 | 115.7 | P45 N49 | P45-S47 PolarHBondContact O-N 3.04Å; S47-N49 PolarHBondContact O-N 3.02Å |
| 48 | G | 63.2 | Low | 83 | Confident | 83 Ų | 83 | 82.2 Ų | 82.2 | 86% | 0.856 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.4 | -4.1 | 165 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 49 | N | 70.8 | Confident | 82.9 | Confident | 122 Ų | 122 | 83 Ų | 83 | 65% | 0.652 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -89.4 | 170.2 | -179.7 | -76.2 | -31.7 | 0 | 0 | 0 | 113 | P45 S47 | P45-N49 WeakPolarHBondContact CB-O 3.38Å; S47-N49 PolarHBondContact O-N 3.02Å |
| 50 | R | 81.9 | Confident | 82.8 | Confident | 151 Ų | 151 | 82.4 Ų | 82.4 | 57% | 0.57 | 45% | 0.447 | S | S | * | . | P | Polyproline II helix | trans | -68.5 | 145.2 | 172.6 | -68.4 | -173.4 | -171.1 | -174 | 7 | 110.6 | P59 | R50-P59 HydrophobicContact CB-CB 4.14Š|
| 51 | P | 87.2 | Confident | 82.8 | Confident | 14 Ų | 14 | 86.1 Ų | 86.1 | 9% | 0.091 | 46% | 0.463 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 147.2 | 172.5 | 28.2 | -34.5 | 0 | 0 | 0 | 110.2 | I43 P59 F60 K62 | I43-P51 HydrophobicContact CG2-CB 3.74Å; P51-P59 CarbonylContact O-C 3.51Å; P51-P59 WeakPolarHBondContact O-CA 3.36Å; P51-F60 HydrophobicContact CB-CD1 4.35Å; P51-F60 HydrophobicContact CB-CE1 3.71Å; P51-F60 HydrophobicContact CB-CE2 4.39Å; P51-F60 HydrophobicContact CB-CZ 3.72Å; P51-F60 WeakPolarHBondContact CD-O 3.34Å; P51-F60 HydrophobicContact CG-CD1 4.32Å; P51-F60 HydrophobicContact CG-CD2 4.28Å; P51-F60 HydrophobicContact CG-CE1 4Å; P51-F60 HydrophobicContact CG-CE2 3.94Å; P51-F60 HydrophobicContact CG-CG 4.46Å; P51-F60 HydrophobicContact CG-CZ 3.78Å; P51-F60 WeakPolarHBondContact CG-O 3.31Å; P51-F60 VanDerWaalsContact O-CD1 3.29Å; P51-F60 WeakPolarHBondContact O-CD1 3.45Å; P51-F60 PolarHBondContact O-N 2.96Å; P51-K62 HydrophobicContact CG-CG 4.42Å |
| 52 | V | 91.6 | Very high | 82.8 | Confident | 71 Ų | 71 | 88.6 Ų | 88.6 | 43% | 0.43 | 47% | 0.466 | S | S | . | . | B | Isolated β-bridge | trans | -111.6 | 143.4 | -178.5 | -68.5 | 0 | 0 | 0 | 0 | 110.6 | P54 P59 | V52-P54 WeakPolarHBondContact O-CD 2.95Å; V52-P59 HydrophobicContact CG1-CB 4.48Å |
| 53 | C | 92.7 | Very high | 82.8 | Confident | 0 Ų | 0 | 89.5 Ų | 89.5 | 0% | 0 | 47% | 0.466 | C | S | . | . | trans | -58.8 | 129.1 | 174.7 | 175.4 | 0 | 0 | 0 | 0 | 110.5 | I29 C31 L55 C56 K57 K58 | I29-C53 HydrophobicContact CD1-CB 3.6Å; C31-C53 PolarHBondContact SG-SG 3.33Å; C53-L55 PolarHBondContact O-N 3.29Å; C53-L55 PolarHBondContact SG-N 2.99Å; C53-L55 VanDerWaalsContact SG-N 3.4Å; C53-C56 VanDerWaalsContact SG-SG 3.65Å; C53-K57 WeakPolarHBondContact O-CA 3.46Å; C53-K57 PolarHBondContact O-N 3.41Å; C53-K58 PolarHBondContact N-O 3.39Å | ||
| 54 | P | 90.2 | Very high | 83 | Confident | 44 Ų | 44 | 90.9 Ų | 90.9 | 29% | 0.286 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -31.1 | 177.4 | -28.7 | 38.2 | 0 | 0 | 0 | 114.3 | I18 F35 I43 V52 K57 | I18-P54 HydrophobicContact CD1-CG 3.92Å; I18-P54 HydrophobicContact CG1-CB 4.44Å; I18-P54 HydrophobicContact CG1-CG 4.1Å; F35-P54 HydrophobicContact CE1-CB 4.47Å; F35-P54 HydrophobicContact CE1-CG 4.38Å; F35-P54 HydrophobicContact CZ-CG 4.41Å; I43-P54 HydrophobicContact CD1-CG 3.87Å; I43-P54 HydrophobicContact CG1-CG 4.47Å; V52-P54 WeakPolarHBondContact O-CD 2.95Å; P54-K57 PolarHBondContact O-NZ 2.77Å |
| 55 | L | 91.2 | Very high | 83.7 | Confident | 87 Ų | 87 | 82.1 Ų | 82.1 | 46% | 0.455 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -59.2 | -177.5 | -69.3 | 173 | 0 | 0 | 0 | 112.7 | S17 H33 F35 C53 | S17-L55 WeakPolarHBondContact OG-CD2 3.37Å; S17-L55 WeakPolarHBondContact OG-CG 3.41Å; H33-L55 HydrophobicContact CB-CD1 4.05Å; H33-L55 WeakPolarHBondContact CD2-CD1 3.37Å; F35-L55 HydrophobicContact CE1-CD1 3.92Å; F35-L55 HydrophobicContact CE1-CG 4.06Å; F35-L55 HydrophobicContact CZ-CD1 3.89Å; F35-L55 HydrophobicContact CZ-CG 4.06Å; C53-L55 PolarHBondContact O-N 3.29Å; C53-L55 PolarHBondContact SG-N 2.99Å; C53-L55 VanDerWaalsContact SG-N 3.4Å |
| 56 | C | 93.5 | Very high | 84.8 | Confident | 46 Ų | 46 | 85.9 Ų | 85.9 | 31% | 0.311 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | 0.4 | -174.1 | 70.1 | 0 | 0 | 0 | 0 | 115.2 | C53 K58 | C53-C56 VanDerWaalsContact SG-SG 3.65Å; C56-K58 PolarHBondContact O-N 2.99Å |
| 57 | K | 90.8 | Very high | 86.2 | Confident | 143 Ų | 143 | 83 Ų | 83 | 62% | 0.622 | 44% | 0.44 | S | S | * | . | trans | 61.3 | 7.2 | -179.9 | -46.7 | -54.3 | -174.9 | -166.4 | 0 | 115.7 | C53 P54 | C53-K57 WeakPolarHBondContact O-CA 3.46Å; C53-K57 PolarHBondContact O-N 3.41Å; P54-K57 PolarHBondContact O-NZ 2.77Å | ||
| 58 | K | 91.3 | Very high | 87.8 | Confident | 130 Ų | 130 | 79.3 Ų | 79.3 | 57% | 0.565 | 41% | 0.414 | S | S | * | . | trans | -67.4 | 135.8 | 174.1 | -68.4 | -179.3 | -179.3 | 177.8 | 0 | 110.8 | C31 C53 C56 | C31-K58 HydrophobicContact CB-CB 4.09Å; C31-K58 HydrophobicContact CB-CD 3.95Å; C53-K58 PolarHBondContact N-O 3.39Å; C56-K58 PolarHBondContact O-N 2.99Å | ||
| 59 | P | 90.3 | Very high | 88.9 | Confident | 85 Ų | 85 | 84.2 Ų | 84.2 | 55% | 0.552 | 41% | 0.406 | S | S | * | . | B | Isolated β-bridge | trans | -67.7 | 143.7 | 176.2 | 27.9 | -33.3 | 0 | 0 | 0 | 110.9 | R50 P51 V52 | R50-P59 HydrophobicContact CB-CB 4.14Å; P51-P59 CarbonylContact O-C 3.51Å; P51-P59 WeakPolarHBondContact O-CA 3.36Å; V52-P59 HydrophobicContact CG1-CB 4.48Å |
| 60 | F | 90.7 | Very high | 89.6 | Confident | 1 Ų | 1 | 82.9 Ų | 82.9 | 0% | 0.004 | 40% | 0.396 | C | S | . | . | trans | -135.4 | 161.3 | 176.1 | 72.1 | -84.3 | 0 | 0 | 0 | 112 | I29 D30 I43 P51 I65 | I29-F60 HydrophobicContact CB-CB 4.23Å; I29-F60 HydrophobicContact CB-CD2 3.92Å; I29-F60 HydrophobicContact CB-CE2 4.43Å; I29-F60 HydrophobicContact CB-CG 3.99Å; I29-F60 HydrophobicContact CD1-CB 4.49Å; I29-F60 HydrophobicContact CD1-CD1 3.75Å; I29-F60 HydrophobicContact CD1-CE1 4.06Å; I29-F60 HydrophobicContact CD1-CG 4.04Å; I29-F60 HydrophobicContact CG2-CD2 3.78Å; I29-F60 HydrophobicContact CG2-CE2 3.81Å; I29-F60 HydrophobicContact CG2-CG 4.26Å; I29-F60 HydrophobicContact CG2-CZ 4.29Å; D30-F60 HydrophobicContact CB-CB 3.81Å; D30-F60 WeakPolarHBondContact OD2-CA 3.42Å; D30-F60 WeakPolarHBondContact OD2-CB 3.4Å; I43-F60 HydrophobicContact CB-CZ 4.46Å; I43-F60 HydrophobicContact CD1-CE1 4.12Å; I43-F60 HydrophobicContact CD1-CZ 3.86Å; I43-F60 HydrophobicContact CG2-CE1 4.36Å; I43-F60 HydrophobicContact CG2-CZ 4.36Å; P51-F60 HydrophobicContact CB-CD1 4.35Å; P51-F60 HydrophobicContact CB-CE1 3.71Å; P51-F60 HydrophobicContact CB-CE2 4.39Å; P51-F60 HydrophobicContact CB-CZ 3.72Å; P51-F60 WeakPolarHBondContact CD-O 3.34Å; P51-F60 HydrophobicContact CG-CD1 4.32Å; P51-F60 HydrophobicContact CG-CD2 4.28Å; P51-F60 HydrophobicContact CG-CE1 4Å; P51-F60 HydrophobicContact CG-CE2 3.94Å; P51-F60 HydrophobicContact CG-CG 4.46Å; P51-F60 HydrophobicContact CG-CZ 3.78Å; P51-F60 WeakPolarHBondContact CG-O 3.31Å; P51-F60 VanDerWaalsContact O-CD1 3.29Å; P51-F60 WeakPolarHBondContact O-CD1 3.45Å; P51-F60 PolarHBondContact O-N 2.96Å; F60-I65 HydrophobicContact CE2-CD1 4.35Å; F60-I65 HydrophobicContact CE2-CG1 4.48Å | ||
| 61 | K | 89.3 | Confident | 90 | Very high | 78 Ų | 78 | 77.4 Ų | 77.4 | 34% | 0.339 | 38% | 0.378 | S | S | . | . | trans | -98.4 | 139.2 | 173.1 | -56 | -170.3 | -168.4 | 176.7 | 0 | 110.9 | D30 E63 N64 | D30-K61 PolarHBondContact OD2-N 2.97Å; K61-E63 PolarHBondContact O-N 2.88Å; K61-N64 HydrophobicContact CB-CB 4.41Å; K61-N64 PolarHBondContact O-N 3.36Å; K61-N64 VanDerWaalsContact O-N 3.11Å | ||
| 62 | K | 86.3 | Confident | 89.8 | Confident | 116 Ų | 116 | 78.3 Ų | 78.3 | 50% | 0.504 | 39% | 0.386 | S | S | . | . | G | 310 helix | trans | -60.5 | -27.6 | 173.3 | -72.2 | -164.6 | 172.7 | -165 | 0 | 112.8 | S41 P51 N64 I65 | S41-K62 PolarHBondContact O-NZ 3.48Å; P51-K62 HydrophobicContact CG-CG 4.42Å; K62-N64 VanDerWaalsContact C-N 3.29Å; K62-N64 PolarHBondContact O-N 2.79Å; K62-I65 HydrophobicContact CB-CD1 4.47Å; K62-I65 VanDerWaalsContact O-CG1 3.31Å; K62-I65 WeakPolarHBondContact O-CG1 3.4Å |
| 63 | E | 86.5 | Confident | 89.4 | Confident | 147 Ų | 147 | 77.4 Ų | 77.4 | 69% | 0.687 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -68.5 | -23.5 | 176.7 | -64.9 | 156.6 | -162.9 | 0 | 0 | 113.9 | K61 R66 | K61-E63 PolarHBondContact O-N 2.88Å; E63-R66 PolarHBondContact O-NH1 3.4Å |
| 64 | N | 89.8 | Confident | 89.1 | Confident | 53 Ų | 53 | 80.7 Ų | 80.7 | 28% | 0.283 | 40% | 0.4 | S | S | . | . | G | 310 helix | trans | -95.5 | 7.8 | -176.4 | -70.2 | -9.2 | 0 | 0 | 0 | 113 | D30 K61 K62 R66 | D30-N64 WeakPolarHBondContact OD1-CB 3.36Å; D30-N64 VanDerWaalsContact OD1-CG 3.29Å; D30-N64 PolarHBondContact OD1-ND2 3.04Å; K61-N64 HydrophobicContact CB-CB 4.41Å; K61-N64 PolarHBondContact O-N 3.36Å; K61-N64 VanDerWaalsContact O-N 3.11Å; K62-N64 VanDerWaalsContact C-N 3.29Å; K62-N64 PolarHBondContact O-N 2.79Å; N64-R66 PolarHBondContact O-N 2.98Å |
| 65 | I | 91.8 | Very high | 89 | Confident | 36 Ų | 36 | 78.8 Ų | 78.8 | 19% | 0.185 | 39% | 0.388 | C | S | . | . | trans | -67 | 126.1 | 172.3 | -60.6 | 176.8 | 0 | 0 | 0 | 107.8 | V27 T28 I29 F60 K62 | V27-I65 HydrophobicContact CB-CG2 3.46Å; V27-I65 VanDerWaalsContact CB-CG2 3.46Å; V27-I65 HydrophobicContact CG1-CG2 3.79Å; V27-I65 HydrophobicContact CG2-CG2 3.59Å; T28-I65 WeakPolarHBondContact O-CA 3.34Å; I29-I65 HydrophobicContact CG2-CG1 4.28Å; F60-I65 HydrophobicContact CE2-CD1 4.35Å; F60-I65 HydrophobicContact CE2-CG1 4.48Å; K62-I65 HydrophobicContact CB-CD1 4.47Å; K62-I65 VanDerWaalsContact O-CG1 3.31Å; K62-I65 WeakPolarHBondContact O-CG1 3.4Å | ||
| 66 | R | 93 | Very high | 88.6 | Confident | 139 Ų | 139 | 79.3 Ų | 79.3 | 53% | 0.525 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 134.5 | -179 | -64.9 | -72.2 | -178.6 | -91.4 | -0.7 | 110.1 | V27 T28 E63 N64 | V27-R66 CarbonylContact C-O 3.55Å; V27-R66 WeakPolarHBondContact CA-O 3.3Å; T28-R66 HydrophobicContact CG2-CB 3.92Å; T28-R66 PolarHBondContact N-O 3.39Å; T28-R66 PolarHBondContact O-N 3.36Å; T28-R66 VanDerWaalsContact O-N 3.1Å; E63-R66 PolarHBondContact O-NH1 3.4Å; N64-R66 PolarHBondContact O-N 2.98Å |
| 67 | P | 92.1 | Very high | 88.1 | Confident | 90 Ų | 90 | 80.4 Ų | 80.4 | 58% | 0.584 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 144.2 | 175.9 | 28.4 | -33.7 | 0 | 0 | 0 | 111.6 | ||
| 68 | V | 89.8 | Confident | 87.7 | Confident | 30 Ų | 30 | 73.7 Ų | 73.7 | 18% | 0.182 | 36% | 0.362 | C | S | . | . | trans | -121.1 | 77.2 | 178.1 | -171.5 | 0 | 0 | 0 | 0 | 109 | P26 T28 Q70 L71 | P26-V68 VanDerWaalsContact CG-O 3.3Å; P26-V68 WeakPolarHBondContact CG-O 3.4Å; P26-V68 PolarHBondContact O-N 3.33Å; T28-V68 HydrophobicContact CG2-CG2 3.84Å; V68-Q70 PolarHBondContact O-N 2.98Å; V68-L71 HydrophobicContact CB-CD1 4.26Å; V68-L71 HydrophobicContact CG1-CB 4.35Å; V68-L71 HydrophobicContact CG1-CD1 3.79Å; V68-L71 HydrophobicContact CG1-CG 3.85Å; V68-L71 PolarHBondContact O-N 3.47Å; V68-L71 VanDerWaalsContact O-N 3.15Å | ||
| 69 | W | 85.9 | Confident | 87.2 | Confident | 186 Ų | 186 | 70.1 Ų | 70.1 | 71% | 0.705 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -61.5 | -26.8 | -171.9 | 58.7 | -93.2 | 0 | 0 | 0 | 113.8 | L71 A72 S73 | W69-L71 VanDerWaalsContact C-N 3.3Å; W69-L71 PolarHBondContact O-N 3.12Å; W69-A72 WeakPolarHBondContact O-CB 3.47Å; W69-A72 PolarHBondContact O-N 3Å; W69-S73 PolarHBondContact O-N 2.9Å; W69-S73 VanDerWaalsContact O-N 3.14Å |
| 70 | Q | 85.9 | Confident | 86.6 | Confident | 94 Ų | 94 | 73.3 Ų | 73.3 | 44% | 0.439 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.3 | -38.5 | 177 | -61 | 88.3 | -17.6 | 0 | 0 | 111.9 | V68 A72 S73 L74 | V68-Q70 PolarHBondContact O-N 2.98Å; Q70-A72 VanDerWaalsContact C-N 3.35Å; Q70-S73 PolarHBondContact O-N 3.36Å; Q70-L74 PolarHBondContact O-N 3.39Å; Q70-L74 VanDerWaalsContact O-N 3.07Å |
| 71 | L | 89.4 | Confident | 85.8 | Confident | 36 Ų | 36 | 77.4 Ų | 77.4 | 19% | 0.188 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -70.6 | -32.7 | 177.7 | -69.9 | 175.6 | 0 | 0 | 0 | 111.8 | L23 P26 V34 V68 W69 S73 L74 V75 | L23-L71 HydrophobicContact CD1-CD1 4.17Å; P26-L71 HydrophobicContact CB-CB 4.02Å; P26-L71 HydrophobicContact CB-CD1 4.48Å; P26-L71 HydrophobicContact CG-CB 3.91Å; V34-L71 HydrophobicContact CB-CD1 4.07Å; V34-L71 HydrophobicContact CG1-CD1 3.66Å; V34-L71 HydrophobicContact CG2-CD1 3.85Å; V68-L71 HydrophobicContact CB-CD1 4.26Å; V68-L71 HydrophobicContact CG1-CB 4.35Å; V68-L71 HydrophobicContact CG1-CD1 3.79Å; V68-L71 HydrophobicContact CG1-CG 3.85Å; V68-L71 PolarHBondContact O-N 3.47Å; V68-L71 VanDerWaalsContact O-N 3.15Å; W69-L71 VanDerWaalsContact C-N 3.3Å; W69-L71 PolarHBondContact O-N 3.12Å; L71-S73 VanDerWaalsContact C-N 3.32Å; L71-S73 PolarHBondContact O-N 3.16Å; L71-L74 HydrophobicContact CD2-CD1 4.16Å; L71-L74 PolarHBondContact O-N 2.8Å; L71-V75 WeakPolarHBondContact O-CG2 3.43Å; L71-V75 PolarHBondContact O-N 2.68Å |
| 72 | A | 84.7 | Confident | 84.9 | Confident | 32 Ų | 32 | 78 Ų | 78 | 26% | 0.264 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63 | -42.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | P26 W69 Q70 L74 V75 E76 | P26-A72 HydrophobicContact CG-CB 3.88Å; W69-A72 WeakPolarHBondContact O-CB 3.47Å; W69-A72 PolarHBondContact O-N 3Å; Q70-A72 VanDerWaalsContact C-N 3.35Å; A72-L74 PolarHBondContact O-N 3.03Å; A72-V75 PolarHBondContact O-N 2.85Å; A72-E76 PolarHBondContact O-N 2.95Å |
| 73 | S | 83 | Confident | 83.7 | Confident | 53 Ų | 53 | 77.3 Ų | 77.3 | 37% | 0.371 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -64 | -38.4 | 174.9 | -175.4 | 0 | 0 | 0 | 0 | 112.4 | W69 Q70 L71 E76 N77 | W69-S73 PolarHBondContact O-N 2.9Å; W69-S73 VanDerWaalsContact O-N 3.14Å; Q70-S73 PolarHBondContact O-N 3.36Å; L71-S73 VanDerWaalsContact C-N 3.32Å; L71-S73 PolarHBondContact O-N 3.16Å; S73-E76 PolarHBondContact O-N 3.03Å; S73-N77 WeakPolarHBondContact O-CB 3.33Å; S73-N77 PolarHBondContact O-N 3.02Å; S73-N77 PolarHBondContact O-ND2 3.34Å |
| 74 | L | 86.7 | Confident | 82.1 | Confident | 68 Ų | 68 | 76.4 Ų | 76.4 | 36% | 0.356 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.9 | -43.2 | 174.7 | -71.6 | 179.2 | 0 | 0 | 0 | 112.5 | V14 Q70 L71 A72 E76 N77 I78 | V14-L74 HydrophobicContact CG1-CB 4.14Å; Q70-L74 PolarHBondContact O-N 3.39Å; Q70-L74 VanDerWaalsContact O-N 3.07Å; L71-L74 HydrophobicContact CD2-CD1 4.16Å; L71-L74 PolarHBondContact O-N 2.8Å; A72-L74 PolarHBondContact O-N 3.03Å; L74-E76 VanDerWaalsContact C-N 3.35Å; L74-E76 PolarHBondContact O-N 3.48Å; L74-N77 PolarHBondContact O-N 2.96Å; L74-I78 WeakPolarHBondContact O-CD1 3.38Å; L74-I78 VanDerWaalsContact O-CG1 3.26Å; L74-I78 WeakPolarHBondContact O-CG1 3.35Å; L74-I78 PolarHBondContact O-N 3.49Å |
| 75 | V | 87.7 | Confident | 80.3 | Confident | 4 Ų | 4 | 80.2 Ų | 80.2 | 2% | 0.024 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -56.8 | -49 | 174.2 | 169.4 | 0 | 0 | 0 | 0 | 110.5 | V14 Y22 L23 L71 A72 N77 I78 E79 | V14-V75 HydrophobicContact CB-CG2 3.77Å; V14-V75 HydrophobicContact CG1-CG2 4.33Å; V14-V75 HydrophobicContact CG2-CG2 4.21Å; Y22-V75 HydrophobicContact CD1-CG1 4.43Å; Y22-V75 HydrophobicContact CD1-CG2 4.43Å; Y22-V75 HydrophobicContact CG-CG1 4.12Å; L23-V75 HydrophobicContact CB-CG2 4.25Å; L71-V75 WeakPolarHBondContact O-CG2 3.43Å; L71-V75 PolarHBondContact O-N 2.68Å; A72-V75 PolarHBondContact O-N 2.85Å; V75-N77 VanDerWaalsContact C-N 3.29Å; V75-N77 PolarHBondContact O-N 3.5Å; V75-I78 PolarHBondContact O-N 2.95Å; V75-E79 HydrophobicContact CG1-CG 4.36Å; V75-E79 WeakPolarHBondContact O-CB 3.39Å; V75-E79 WeakPolarHBondContact O-CG 3.29Å; V75-E79 PolarHBondContact O-N 2.8Å |
| 76 | E | 83.3 | Confident | 78.1 | Confident | 98 Ų | 98 | 81 Ų | 81 | 46% | 0.458 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -59.7 | -39.8 | 177.6 | -75 | -175.6 | -165.1 | 0 | 0 | 112.3 | A72 S73 L74 E79 R80 | A72-E76 PolarHBondContact O-N 2.95Å; S73-E76 PolarHBondContact O-N 3.03Å; L74-E76 VanDerWaalsContact C-N 3.35Å; L74-E76 PolarHBondContact O-N 3.48Å; E76-E79 PolarHBondContact O-N 2.94Å; E76-R80 WeakPolarHBondContact O-CB 3.44Å; E76-R80 VanDerWaalsContact O-CG 3.26Å; E76-R80 WeakPolarHBondContact O-CG 3.41Å; E76-R80 PolarHBondContact O-N 2.96Å; E76-R80 IonicContact OE2-NH2 2.76Å |
| 77 | N | 80.9 | Confident | 75.6 | Confident | 69 Ų | 69 | 85 Ų | 85 | 37% | 0.369 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -67.6 | -40.5 | 178.2 | -70.2 | -24.4 | 0 | 0 | 0 | 111.8 | S73 L74 V75 R80 L81 | S73-N77 WeakPolarHBondContact O-CB 3.33Å; S73-N77 PolarHBondContact O-N 3.02Å; S73-N77 PolarHBondContact O-ND2 3.34Å; L74-N77 PolarHBondContact O-N 2.96Å; V75-N77 VanDerWaalsContact C-N 3.29Å; V75-N77 PolarHBondContact O-N 3.5Å; N77-R80 PolarHBondContact O-N 3.32Å; N77-L81 VanDerWaalsContact O-CG 3.28Å; N77-L81 WeakPolarHBondContact O-CG 3.46Å; N77-L81 PolarHBondContact O-N 3.47Å |
| 78 | I | 83.5 | Confident | 72.9 | Confident | 2 Ų | 2 | 89 Ų | 89 | 1% | 0.01 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -66.3 | -42.4 | 175.9 | -65.8 | 159.9 | 0 | 0 | 0 | 110.5 | L10 E11 V14 Y22 L74 V75 R80 L81 K82 | L10-I78 HydrophobicContact CD2-CD1 3.83Å; L10-I78 HydrophobicContact CD2-CG1 3.88Å; L10-I78 HydrophobicContact CG-CD1 3.78Å; L10-I78 HydrophobicContact CG-CG1 4.36Å; E11-I78 HydrophobicContact CG-CG2 3.95Å; V14-I78 HydrophobicContact CB-CD1 4.29Å; V14-I78 HydrophobicContact CG1-CD1 3.96Å; V14-I78 HydrophobicContact CG2-CD1 3.42Å; V14-I78 VanDerWaalsContact CG2-CD1 3.42Å; Y22-I78 HydrophobicContact CE1-CG2 4.08Å; Y22-I78 WeakPolarHBondContact OH-CG2 3.44Å; L74-I78 WeakPolarHBondContact O-CD1 3.38Å; L74-I78 VanDerWaalsContact O-CG1 3.26Å; L74-I78 WeakPolarHBondContact O-CG1 3.35Å; L74-I78 PolarHBondContact O-N 3.49Å; V75-I78 PolarHBondContact O-N 2.95Å; I78-R80 VanDerWaalsContact C-N 3.34Å; I78-R80 PolarHBondContact O-N 3.23Å; I78-L81 PolarHBondContact O-N 2.86Å; I78-K82 PolarHBondContact O-N 3.45Å |
| 79 | E | 81.4 | Confident | 70.2 | Confident | 56 Ų | 56 | 94.1 Ų | 94.1 | 26% | 0.262 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -58.6 | -45.1 | 173 | -74.5 | -179.1 | 150.1 | 0 | 0 | 110.7 | R24 V75 E76 L81 K82 V83 | R24-E79 IonicContact CZ-OE1 2.81Å; R24-E79 IonicContact NH1-OE1 3.08Å; R24-E79 PolarHBondContact NH1-OE1 3.46Å; R24-E79 VanDerWaalsContact NH1-OE1 3.14Å; R24-E79 IonicContact NH1-OE2 3.48Å; R24-E79 IonicContact NH2-OE1 2.87Å; R24-E79 PolarHBondContact NH2-OE1 3.33Å; V75-E79 HydrophobicContact CG1-CG 4.36Å; V75-E79 WeakPolarHBondContact O-CB 3.39Å; V75-E79 WeakPolarHBondContact O-CG 3.29Å; V75-E79 PolarHBondContact O-N 2.8Å; E76-E79 PolarHBondContact O-N 2.94Å; E79-L81 PolarHBondContact O-N 3.34Å; E79-K82 PolarHBondContact O-N 2.91Å; E79-V83 VanDerWaalsContact O-CG2 3.31Å; E79-V83 WeakPolarHBondContact O-CG2 3.46Å; E79-V83 PolarHBondContact O-N 2.85Å |
| 80 | R | 77.9 | Confident | 68 | Low | 151 Ų | 151 | 88.1 Ų | 88.1 | 57% | 0.57 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -61.5 | -43.4 | 175.3 | -74 | 174.6 | -170.3 | -174.9 | 9.1 | 112.6 | E76 N77 I78 K82 V83 D84 | E76-R80 WeakPolarHBondContact O-CB 3.44Å; E76-R80 VanDerWaalsContact O-CG 3.26Å; E76-R80 WeakPolarHBondContact O-CG 3.41Å; E76-R80 PolarHBondContact O-N 2.96Å; E76-R80 IonicContact OE2-NH2 2.76Å; N77-R80 PolarHBondContact O-N 3.32Å; I78-R80 VanDerWaalsContact C-N 3.34Å; I78-R80 PolarHBondContact O-N 3.23Å; R80-K82 VanDerWaalsContact C-N 3.29Å; R80-K82 PolarHBondContact O-N 3.35Å; R80-V83 PolarHBondContact O-N 3.43Å; R80-V83 VanDerWaalsContact O-N 3.16Å; R80-D84 PolarHBondContact O-N 3.38Å |
| 81 | L | 73 | Confident | 65.5 | Low | 87 Ų | 87 | 93.2 Ų | 93.2 | 46% | 0.455 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.7 | -32.8 | 176.8 | -71.9 | 169.8 | 0 | 0 | 0 | 112.5 | L7 N77 I78 E79 N85 | L7-L81 HydrophobicContact CD2-CD1 4.34Å; N77-L81 VanDerWaalsContact O-CG 3.28Å; N77-L81 WeakPolarHBondContact O-CG 3.46Å; N77-L81 PolarHBondContact O-N 3.47Å; I78-L81 PolarHBondContact O-N 2.86Å; E79-L81 PolarHBondContact O-N 3.34Å; L81-N85 PolarHBondContact O-N 2.84Å; L81-N85 PolarHBondContact O-ND2 3.16Å |
| 82 | K | 70.4 | Confident | 62.9 | Low | 90 Ų | 90 | 99.4 Ų | 99.4 | 39% | 0.391 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -69.6 | -40.1 | 172.2 | -76.2 | -172.1 | 172.2 | -175.8 | 0 | 112.1 | E11 Y22 I78 E79 R80 N85 G86 | E11-K82 WeakPolarHBondContact OE1-CE 3.19Å; E11-K82 IonicContact OE1-NZ 3.97Å; E11-K82 PolarHBondContact OE1-NZ 2.95Å; E11-K82 VanDerWaalsContact OE1-NZ 3.07Å; E11-K82 IonicContact OE2-NZ 3.88Å; E11-K82 PolarHBondContact OE2-NZ 3.1Å; Y22-K82 WeakPolarHBondContact OH-CE 3.33Å; Y22-K82 PolarHBondContact OH-NZ 3.38Å; I78-K82 PolarHBondContact O-N 3.45Å; E79-K82 PolarHBondContact O-N 2.91Å; R80-K82 VanDerWaalsContact C-N 3.29Å; R80-K82 PolarHBondContact O-N 3.35Å; K82-N85 PolarHBondContact O-N 2.89Å; K82-G86 PolarHBondContact O-N 2.9Å |
| 83 | V | 61.1 | Low | 60.6 | Low | 103 Ų | 103 | 102 Ų | 102 | 62% | 0.624 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -66.8 | -38.3 | 179.1 | 174.2 | 0 | 0 | 0 | 0 | 111.5 | E79 R80 G86 | E79-V83 VanDerWaalsContact O-CG2 3.31Å; E79-V83 WeakPolarHBondContact O-CG2 3.46Å; E79-V83 PolarHBondContact O-N 2.85Å; R80-V83 PolarHBondContact O-N 3.43Å; R80-V83 VanDerWaalsContact O-N 3.16Å; V83-G86 PolarHBondContact O-N 3.36Å |
| 84 | D | 53.6 | Low | 58.4 | Low | 127 Ų | 127 | 111.2 Ų | 111.2 | 68% | 0.679 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -73.7 | -30.3 | 178.4 | -80.2 | -23.4 | 0 | 0 | 0 | 113.3 | R80 | R80-D84 PolarHBondContact O-N 3.38Å |
| 85 | N | 51.6 | Low | 55.9 | Low | 133 Ų | 133 | 115.5 Ų | 115.5 | 71% | 0.711 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -81.5 | -16.3 | 172.8 | -79.7 | -37.1 | 0 | 0 | 0 | 113.9 | L81 K82 | L81-N85 PolarHBondContact O-N 2.84Å; L81-N85 PolarHBondContact O-ND2 3.16Å; K82-N85 PolarHBondContact O-N 2.89Å |
| 86 | G | 45.7 | Very low | 53.8 | Low | 52 Ų | 52 | 121 Ų | 121 | 54% | 0.536 | 63% | 0.629 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.6 | 5.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | K82 V83 Q88 | K82-G86 PolarHBondContact O-N 2.9Å; V83-G86 PolarHBondContact O-N 3.36Å; G86-Q88 PolarHBondContact O-N 3.18Å |
| 87 | R | 39.7 | Very low | 51.9 | Low | 223 Ų | 223 | 125.5 Ų | 125.5 | 84% | 0.842 | 65% | 0.65 | S | S | * | * | trans | -75.9 | 61.6 | -176.3 | -151.8 | 169.5 | -162.8 | -160.5 | 2 | 112.6 | ||||
| 88 | Q | 35.2 | Very low | 50.6 | Low | 176 Ų | 176 | 128.3 Ų | 128.3 | 82% | 0.822 | 67% | 0.665 | S | S | * | * | trans | -78.7 | 127.3 | 151.1 | -70 | -158.6 | 5 | 0 | 0 | 108.4 | G86 G90 | G86-Q88 PolarHBondContact O-N 3.18Å; Q88-G90 PolarHBondContact O-N 2.97Å; Q88-G90 VanDerWaalsContact O-N 3.12Å | ||
| 89 | P | 34.3 | Very low | 49.5 | Very low | 137 Ų | 137 | 134 Ų | 134 | 89% | 0.89 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | 97.6 | 172.8 | 23 | -16.9 | 0 | 0 | 0 | 108.3 | ||
| 90 | G | 38.6 | Very low | 49.3 | Very low | 60 Ų | 60 | 137.6 Ų | 137.6 | 62% | 0.619 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -166.7 | -23.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 119.4 | Q88 L92 | Q88-G90 PolarHBondContact O-N 2.97Å; Q88-G90 VanDerWaalsContact O-N 3.12Å; G90-L92 PolarHBondContact O-N 3.07Å |
| 91 | E | 34.2 | Very low | 49.8 | Very low | 200 Ų | 200 | 134.3 Ų | 134.3 | 94% | 0.935 | 70% | 0.701 | S | S | * | * | trans | -93.1 | 93.1 | -176.1 | -75.8 | -174.6 | 159.8 | 0 | 0 | 112.5 | ||||
| 92 | L | 35.2 | Very low | 50.5 | Low | 166 Ų | 166 | 130.6 Ų | 130.6 | 87% | 0.869 | 68% | 0.682 | S | S | * | * | trans | -40.4 | 132.7 | 160.2 | -74 | 141.8 | 0 | 0 | 0 | 111.6 | G90 R94 | G90-L92 PolarHBondContact O-N 3.07Å; L92-R94 PolarHBondContact O-N 3.27Å | ||
| 93 | A | 35.1 | Very low | 51.2 | Low | 86 Ų | 86 | 135.2 Ų | 135.2 | 71% | 0.711 | 71% | 0.705 | S | S | * | * | trans | -41.2 | 119.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | E95 | A93-E95 PolarHBondContact O-N 3.04Š| ||
| 94 | R | 38.3 | Very low | 52.3 | Low | 248 Ų | 248 | 138.1 Ų | 138.1 | 94% | 0.936 | 71% | 0.705 | S | S | * | * | trans | -67.6 | 93.5 | 147.5 | -74.9 | -175 | 177.5 | -179.8 | 0.6 | 106.4 | L92 | L92-R94 PolarHBondContact O-N 3.27Š| ||
| 95 | E | 34 | Very low | 53.9 | Low | 157 Ų | 157 | 135.1 Ų | 135.1 | 73% | 0.734 | 69% | 0.687 | S | S | * | * | trans | -57.6 | 131.5 | 168.1 | -69.3 | -165.1 | 143.9 | 0 | 0 | 108.9 | A93 Q97 | A93-E95 PolarHBondContact O-N 3.04Å; E95-Q97 PolarHBondContact O-N 2.92Å | ||
| 96 | P | 43.8 | Very low | 55.4 | Low | 121 Ų | 121 | 135.1 Ų | 135.1 | 79% | 0.786 | 68% | 0.682 | S | S | * | * | trans | -63.7 | 123.2 | 174.6 | -11.3 | 25.2 | 0 | 0 | 0 | 108.4 | D98 | P96-D98 PolarHBondContact O-N 3.27Š| ||
| 97 | Q | 43.4 | Very low | 57.2 | Low | 192 Ų | 192 | 137.2 Ų | 137.2 | 90% | 0.897 | 68% | 0.678 | S | S | * | * | trans | -71 | 55.7 | 172.4 | -71.5 | 177.2 | -13.1 | 0 | 0 | 111.5 | E95 M99 | E95-Q97 PolarHBondContact O-N 2.92Å; Q97-M99 VanDerWaalsContact C-N 3.35Å | ||
| 98 | D | 52.6 | Low | 59.5 | Low | 127 Ų | 127 | 130.9 Ų | 130.9 | 68% | 0.679 | 66% | 0.657 | S | S | * | * | trans | -99.8 | 67.1 | 165.9 | -159.1 | 18.2 | 0 | 0 | 0 | 107.9 | P96 K100 | P96-D98 PolarHBondContact O-N 3.27Å; D98-K100 PolarHBondContact O-N 2.88Å | ||
| 99 | M | 60.7 | Low | 62.1 | Low | 121 Ų | 121 | 124.2 Ų | 124.2 | 60% | 0.596 | 63% | 0.627 | S | S | * | * | trans | -71.7 | 92.5 | 179 | -70.3 | -166.1 | 133.5 | 0 | 0 | 109.2 | Q97 L101 K108 | Q97-M99 VanDerWaalsContact C-N 3.35Å; M99-L101 PolarHBondContact O-N 3.39Å; M99-K108 HydrophobicContact CE-CD 4.09Å; M99-K108 VanDerWaalsContact CE-NZ 3.3Å; M99-K108 HydrophobicContact SD-CD 4.27Å; M99-K108 WeakPolarHBondContact SD-CE 3.46Å | ||
| 100 | K | 76.9 | Confident | 64.7 | Low | 133 Ų | 133 | 122 Ų | 122 | 58% | 0.578 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 121.8 | 174.8 | -65.3 | -172.5 | 178.3 | -176.7 | 0 | 110.5 | D98 L109 L119 | D98-K100 PolarHBondContact O-N 2.88Å; K100-L109 HydrophobicContact CB-CD1 3.86Å; K100-L109 WeakPolarHBondContact O-CG 3.46Å; K100-L109 PolarHBondContact O-N 2.78Å; K100-L119 HydrophobicContact CD-CD1 4.44Å |
| 101 | L | 87.4 | Confident | 67.2 | Low | 81 Ų | 81 | 121.5 Ų | 121.5 | 42% | 0.424 | 58% | 0.584 | S | S | . | * | B | Isolated β-bridge | trans | -95.8 | 151.3 | 176.3 | -60.2 | 177.1 | 0 | 0 | 0 | 110.3 | M99 E103 K108 | M99-L101 PolarHBondContact O-N 3.39Å; L101-E103 PolarHBondContact O-N 3.03Å; L101-K108 HydrophobicContact CD2-CG 4.07Å |
| 102 | C | 88 | Confident | 70 | Confident | 10 Ų | 10 | 115.1 Ų | 115.1 | 7% | 0.068 | 55% | 0.552 | C | S | . | * | P | Polyproline II helix | trans | -69.3 | 124.1 | 171.3 | 179.3 | 0 | 0 | 0 | 0 | 110.2 | R104 H105 Q106 E107 L109 C121 C124 | C102-R104 PolarHBondContact O-N 2.99Å; C102-H105 HydrophobicContact CB-CB 4.32Å; C102-H105 PolarHBondContact O-N 3.37Å; C102-H105 PolarHBondContact SG-ND1 3.43Å; C102-Q106 WeakPolarHBondContact O-CA 3.46Å; C102-Q106 PolarHBondContact O-N 3.33Å; C102-E107 WeakPolarHBondContact CB-O 3.36Å; C102-E107 PolarHBondContact N-O 2.94Å; C102-L109 HydrophobicContact CB-CD2 3.63Å; C102-L109 HydrophobicContact CB-CG 4.48Å; C102-C121 HydrophobicContact CB-CB 3.74Å; C102-C121 VanDerWaalsContact SG-SG 3.62Å; C102-C124 PolarHBondContact SG-SG 3Å |
| 103 | E | 85.3 | Confident | 72.8 | Confident | 187 Ų | 187 | 107.2 Ų | 107.2 | 87% | 0.874 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -34.4 | 178.3 | -63 | 177 | 177.1 | 0 | 0 | 113 | L101 | L101-E103 PolarHBondContact O-N 3.03Š|
| 104 | R | 85.1 | Confident | 75.5 | Confident | 163 Ų | 163 | 108.2 Ų | 108.2 | 62% | 0.615 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -33.2 | -177.2 | -69.6 | 176.7 | 68.2 | 165.3 | 1.4 | 114 | C102 E129 | C102-R104 PolarHBondContact O-N 2.99Å; R104-E129 IonicContact CZ-OE1 3.82Å; R104-E129 IonicContact NH1-OE1 2.88Å; R104-E129 PolarHBondContact NH1-OE1 2.83Å; R104-E129 IonicContact NH1-OE2 3.36Å; R104-E129 PolarHBondContact NH1-OE2 3.02Å; R104-E129 IonicContact NH2-OE1 3.8Å |
| 105 | H | 86 | Confident | 78 | Confident | 64 Ų | 64 | 101 Ų | 101 | 30% | 0.296 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.9 | -9 | -168.2 | -56.9 | 112.6 | 0 | 0 | 0 | 113.7 | C102 E107 C121 M123 C124 | C102-H105 HydrophobicContact CB-CB 4.32Å; C102-H105 PolarHBondContact O-N 3.37Å; C102-H105 PolarHBondContact SG-ND1 3.43Å; H105-E107 HydrophobicContact CB-CB 4.13Å; H105-E107 HydrophobicContact CB-CG 4.1Å; H105-E107 PolarHBondContact O-N 3.13Å; H105-C121 PolarHBondContact ND1-SG 3.14Å; H105-M123 HydrophobicContact CB-CB 4.24Å; H105-M123 HydrophobicContact CB-CG 4.34Å; H105-C124 PolarHBondContact CE1-SG 3.46Å; H105-C124 PolarHBondContact ND1-SG 3.45Å |
| 106 | Q | 84 | Confident | 80.8 | Confident | 134 Ų | 134 | 96.6 Ų | 96.6 | 63% | 0.626 | 46% | 0.462 | S | S | * | . | trans | 55.9 | 19.3 | -172.6 | -62.8 | -71 | -28.4 | 0 | 0 | 113.5 | C102 | C102-Q106 WeakPolarHBondContact O-CA 3.46Å; C102-Q106 PolarHBondContact O-N 3.33Å | ||
| 107 | E | 83.4 | Confident | 83 | Confident | 96 Ų | 96 | 92.9 Ų | 92.9 | 45% | 0.449 | 45% | 0.445 | S | S | . | . | trans | -96.5 | 150.3 | -179.6 | -77.7 | -64.1 | 159.8 | 0 | 0 | 111 | C102 H105 L109 C121 | C102-E107 WeakPolarHBondContact CB-O 3.36Å; C102-E107 PolarHBondContact N-O 2.94Å; H105-E107 HydrophobicContact CB-CB 4.13Å; H105-E107 HydrophobicContact CB-CG 4.1Å; H105-E107 PolarHBondContact O-N 3.13Å; E107-L109 PolarHBondContact O-N 2.93Å; E107-C121 HydrophobicContact CB-CB 3.51Å | ||
| 108 | K | 87.6 | Confident | 85.3 | Confident | 89 Ų | 89 | 89 Ų | 89 | 39% | 0.387 | 43% | 0.426 | S | S | . | . | B | Isolated β-bridge | trans | -61.3 | 136.9 | 177.6 | -71.3 | -179.6 | -175.7 | 179.6 | 0 | 111.3 | M99 L101 H110 C121 | M99-K108 HydrophobicContact CE-CD 4.09Å; M99-K108 VanDerWaalsContact CE-NZ 3.3Å; M99-K108 HydrophobicContact SD-CD 4.27Å; M99-K108 WeakPolarHBondContact SD-CE 3.46Å; L101-K108 HydrophobicContact CD2-CG 4.07Å; K108-H110 VanDerWaalsContact CB-NE2 3.35Å; K108-H110 WeakPolarHBondContact CB-NE2 3.28Å; K108-H110 PolarHBondContact O-CD2 3.01Å; K108-H110 PolarHBondContact O-N 3.26Å; K108-H110 VanDerWaalsContact O-N 3.15Å; K108-C121 WeakPolarHBondContact O-CA 3.32Å; K108-C121 VanDerWaalsContact O-CB 3.31Å; K108-C121 WeakPolarHBondContact O-CB 3.44Å |
| 109 | L | 90.8 | Very high | 87.2 | Confident | 37 Ų | 37 | 86.4 Ų | 86.4 | 19% | 0.194 | 41% | 0.411 | C | S | . | . | trans | -81.2 | 91.2 | 178.7 | -63.6 | 175.3 | 0 | 0 | 0 | 110.7 | K100 C102 E107 L119 L120 C121 | K100-L109 HydrophobicContact CB-CD1 3.86Å; K100-L109 WeakPolarHBondContact O-CG 3.46Å; K100-L109 PolarHBondContact O-N 2.78Å; C102-L109 HydrophobicContact CB-CD2 3.63Å; C102-L109 HydrophobicContact CB-CG 4.48Å; E107-L109 PolarHBondContact O-N 2.93Å; L109-L119 HydrophobicContact CB-CB 4.1Å; L109-L119 HydrophobicContact CD1-CB 3.79Å; L109-L119 HydrophobicContact CD1-CD1 4.2Å; L109-L119 HydrophobicContact CD2-CB 4.4Å; L109-L119 HydrophobicContact CG-CB 4.32Å; L109-L120 CarbonylContact C-O 3.5Å; L109-L120 WeakPolarHBondContact CA-O 3.45Å; L109-C121 HydrophobicContact CD2-CB 4.22Å | ||
| 110 | H | 89.1 | Confident | 88.6 | Confident | 91 Ų | 91 | 80.8 Ų | 80.8 | 42% | 0.421 | 38% | 0.383 | S | S | . | . | trans | -91.5 | -21.7 | -176.9 | -73.1 | -68.7 | 0 | 0 | 0 | 114.5 | K108 L120 L137 V138 | K108-H110 VanDerWaalsContact CB-NE2 3.35Å; K108-H110 WeakPolarHBondContact CB-NE2 3.28Å; K108-H110 PolarHBondContact O-CD2 3.01Å; K108-H110 PolarHBondContact O-N 3.26Å; K108-H110 VanDerWaalsContact O-N 3.15Å; H110-L120 PolarHBondContact N-O 3.15Å; H110-L120 VanDerWaalsContact N-O 3.07Å; H110-L137 HydrophobicContact CB-CD2 4.48Å; H110-L137 WeakPolarHBondContact O-CA 3.26Å; H110-V138 WeakPolarHBondContact O-CG2 3.31Å; H110-V138 PolarHBondContact O-N 3.46Å | ||
| 111 | Y | 91.2 | Very high | 89.4 | Confident | 48 Ų | 48 | 74.4 Ų | 74.4 | 19% | 0.188 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 154.5 | -172 | -56.9 | -87.5 | 0 | 0 | 0 | 111.7 | L119 L120 V122 R125 V136 L137 | Y111-L119 CarbonylContact O-C 3.06Å; Y111-L119 WeakPolarHBondContact O-CA 3.37Å; Y111-L120 PolarHBondContact N-O 3.04Å; Y111-L120 PolarHBondContact O-N 2.92Å; Y111-V122 HydrophobicContact CE2-CG2 4.06Å; Y111-R125 HydrophobicContact CD2-CB 4.37Å; Y111-V136 CarbonylContact C-O 3.05Å; Y111-V136 WeakPolarHBondContact CA-O 3.45Å; Y111-L137 HydrophobicContact CD1-CD2 4.13Å; Y111-L137 HydrophobicContact CE1-CD2 3.83Å; Y111-L137 HydrophobicContact CE1-CG 4.49Å |
| 112 | Y | 93.1 | Very high | 89.5 | Confident | 66 Ų | 66 | 73.6 Ų | 73.6 | 26% | 0.259 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 125.8 | 170.2 | 176.6 | -101.7 | 0 | 0 | 0 | 108 | E114 G117 K118 L119 A135 V136 A141 | Y112-E114 HydrophobicContact CD1-CG 4.15Å; Y112-E114 HydrophobicContact CE1-CG 4.26Å; Y112-G117 WeakPolarHBondContact OH-CA 3.46Å; Y112-K118 WeakPolarHBondContact CA-O 3.48Å; Y112-L119 HydrophobicContact CD2-CD2 4.34Å; Y112-A135 WeakPolarHBondContact O-CA 3.25Å; Y112-V136 PolarHBondContact N-O 3.35Å; Y112-V136 PolarHBondContact O-N 3.21Å; Y112-A141 HydrophobicContact CD1-CB 3.66Å; Y112-A141 HydrophobicContact CG-CB 3.92Å |
| 113 | C | 93.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 78.3 Ų | 78.3 | 0% | 0 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 114.6 | 172.3 | -167.9 | 0 | 0 | 0 | 0 | 108.8 | D115 D116 G117 K118 L120 H130 H133 | C113-D115 VanDerWaalsContact C-N 3.31Å; C113-D115 PolarHBondContact O-N 2.94Å; C113-D116 HydrophobicContact CB-CB 4.23Å; C113-D116 PolarHBondContact SG-OD2 3.38Å; C113-G117 WeakPolarHBondContact O-CA 3.31Å; C113-G117 PolarHBondContact O-N 3.06Å; C113-K118 PolarHBondContact N-O 3.23Å; C113-L120 HydrophobicContact CB-CD1 3.87Å; C113-L120 HydrophobicContact CB-CD2 4.43Å; C113-L120 HydrophobicContact CB-CG 4.14Å; C113-H130 PolarHBondContact SG-ND1 3Å; C113-H133 WeakPolarHBondContact SG-CB 3.44Å |
| 114 | E | 91.3 | Very high | 89.8 | Confident | 108 Ų | 108 | 70 Ų | 70 | 51% | 0.505 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -34.4 | 179.8 | -66 | -177.8 | 164.8 | 0 | 0 | 111.7 | Y112 T134 V136 | Y112-E114 HydrophobicContact CD1-CG 4.15Å; Y112-E114 HydrophobicContact CE1-CG 4.26Å; E114-T134 PolarHBondContact N-O 3.05Å; E114-T134 WeakPolarHBondContact OE2-CG2 3.41Å; E114-V136 HydrophobicContact CG-CG2 4.15Å |
| 115 | D | 91 | Very high | 90 | Very high | 96 Ų | 96 | 66.5 Ų | 66.5 | 51% | 0.513 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -44.4 | -179.9 | -53.7 | -103.4 | 0 | 0 | 0 | 113 | C113 H133 T134 | C113-D115 VanDerWaalsContact C-N 3.31Å; C113-D115 PolarHBondContact O-N 2.94Å; D115-H133 HydrophobicContact CB-CB 4.06Å; D115-H133 WeakPolarHBondContact OD2-CA 3.46Å; D115-H133 WeakPolarHBondContact OD2-CB 3.48Å; D115-H133 IonicContact OD2-CG 3.61Å; D115-T134 PolarHBondContact OD2-N 2.88Å |
| 116 | D | 92.3 | Very high | 90.2 | Very high | 65 Ų | 65 | 68.5 Ų | 68.5 | 35% | 0.348 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | -12.1 | -175.4 | -65 | -56.4 | 0 | 0 | 0 | 114.4 | C113 K118 H130 H133 | C113-D116 HydrophobicContact CB-CB 4.23Å; C113-D116 PolarHBondContact SG-OD2 3.38Å; D116-K118 VanDerWaalsContact C-N 3.26Å; D116-K118 HydrophobicContact CB-CB 4.26Å; D116-K118 HydrophobicContact CB-CD 3.97Å; D116-K118 HydrophobicContact CB-CG 3.98Å; D116-K118 PolarHBondContact O-N 3.31Å; D116-H130 IonicContact OD2-CE1 2.84Å; D116-H130 PolarHBondContact OD2-CE1 3.34Å; D116-H130 IonicContact OD2-ND1 3.1Å; D116-H130 PolarHBondContact OD2-ND1 3.29Å; D116-H133 IonicContact OD1-CE1 3.79Å; D116-H133 PolarHBondContact OD1-CE1 3.35Å; D116-H133 IonicContact OD1-ND1 3.07Å; D116-H133 IonicContact OD2-CE1 2.83Å; D116-H133 PolarHBondContact OD2-CE1 3.49Å; D116-H133 IonicContact OD2-CG 2.95Å; D116-H133 IonicContact OD2-ND1 3.19Å; D116-H133 PolarHBondContact OD2-ND1 3.25Å |
| 117 | G | 91.5 | Very high | 90.4 | Very high | 42 Ų | 42 | 63.2 Ų | 63.2 | 43% | 0.433 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.2 | 25.2 | -172 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y112 C113 | Y112-G117 WeakPolarHBondContact OH-CA 3.46Å; C113-G117 WeakPolarHBondContact O-CA 3.31Å; C113-G117 PolarHBondContact O-N 3.06Å |
| 118 | K | 90.6 | Very high | 90.6 | Very high | 112 Ų | 112 | 70 Ų | 70 | 49% | 0.487 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 145.5 | -173.9 | -69 | 175.9 | -171.8 | 166.2 | 0 | 112.9 | Y112 C113 D116 L120 | Y112-K118 WeakPolarHBondContact CA-O 3.48Å; C113-K118 PolarHBondContact N-O 3.23Å; D116-K118 VanDerWaalsContact C-N 3.26Å; D116-K118 HydrophobicContact CB-CB 4.26Å; D116-K118 HydrophobicContact CB-CD 3.97Å; D116-K118 HydrophobicContact CB-CG 3.98Å; D116-K118 PolarHBondContact O-N 3.31Å; K118-L120 HydrophobicContact CB-CD2 4.13Å |
| 119 | L | 92.3 | Very high | 90.6 | Very high | 71 Ų | 71 | 70.9 Ų | 70.9 | 37% | 0.372 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 129.3 | 168.6 | -67.5 | 174.7 | 0 | 0 | 0 | 109.8 | K100 L109 Y111 Y112 V138 | K100-L119 HydrophobicContact CD-CD1 4.44Å; L109-L119 HydrophobicContact CB-CB 4.1Å; L109-L119 HydrophobicContact CD1-CB 3.79Å; L109-L119 HydrophobicContact CD1-CD1 4.2Å; L109-L119 HydrophobicContact CD2-CB 4.4Å; L109-L119 HydrophobicContact CG-CB 4.32Å; Y111-L119 CarbonylContact O-C 3.06Å; Y111-L119 WeakPolarHBondContact O-CA 3.37Å; Y112-L119 HydrophobicContact CD2-CD2 4.34Å; L119-V138 HydrophobicContact CD2-CB 4.48Å; L119-V138 HydrophobicContact CD2-CG1 4.16Å; L119-V138 HydrophobicContact CD2-CG2 3.46Å; L119-V138 VanDerWaalsContact CD2-CG2 3.46Å |
| 120 | L | 91.5 | Very high | 90.5 | Very high | 3 Ų | 3 | 69.7 Ų | 69.7 | 2% | 0.016 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 140.4 | -176.7 | -46.5 | -177.9 | 0 | 0 | 0 | 110.7 | L109 H110 Y111 C113 K118 C124 R125 H130 A135 | L109-L120 CarbonylContact C-O 3.5Å; L109-L120 WeakPolarHBondContact CA-O 3.45Å; H110-L120 PolarHBondContact N-O 3.15Å; H110-L120 VanDerWaalsContact N-O 3.07Å; Y111-L120 PolarHBondContact N-O 3.04Å; Y111-L120 PolarHBondContact O-N 2.92Å; C113-L120 HydrophobicContact CB-CD1 3.87Å; C113-L120 HydrophobicContact CB-CD2 4.43Å; C113-L120 HydrophobicContact CB-CG 4.14Å; K118-L120 HydrophobicContact CB-CD2 4.13Å; L120-C124 HydrophobicContact CB-CB 3.86Å; L120-C124 HydrophobicContact CD2-CB 4.05Å; L120-C124 HydrophobicContact CG-CB 4.46Å; L120-R125 HydrophobicContact CD1-CB 4.35Å; L120-H130 HydrophobicContact CD1-CB 3.72Å; L120-H130 VanDerWaalsContact CD2-CD2 3.49Å; L120-H130 WeakPolarHBondContact CD2-CD2 3.37Å; L120-H130 VanDerWaalsContact CD2-NE2 3.28Å; L120-H130 WeakPolarHBondContact CD2-NE2 3.49Å; L120-A135 HydrophobicContact CD1-CB 4.32Å |
| 121 | C | 92 | Very high | 90.5 | Very high | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 35% | 0.347 | C | S | . | . | trans | -81.3 | 175.4 | 159.6 | 69.3 | 0 | 0 | 0 | 0 | 110.3 | C102 H105 E107 K108 L109 M123 C124 R125 | C102-C121 HydrophobicContact CB-CB 3.74Å; C102-C121 VanDerWaalsContact SG-SG 3.62Å; H105-C121 PolarHBondContact ND1-SG 3.14Å; E107-C121 HydrophobicContact CB-CB 3.51Å; K108-C121 WeakPolarHBondContact O-CA 3.32Å; K108-C121 VanDerWaalsContact O-CB 3.31Å; K108-C121 WeakPolarHBondContact O-CB 3.44Å; L109-C121 HydrophobicContact CD2-CB 4.22Å; C121-M123 PolarHBondContact O-N 3.5Å; C121-C124 PolarHBondContact O-N 3.09Å; C121-C124 PolarHBondContact SG-N 2.91Å; C121-C124 VanDerWaalsContact SG-N 3.42Å; C121-R125 PolarHBondContact O-N 3.07Å | ||
| 122 | V | 89.6 | Confident | 90.4 | Very high | 63 Ų | 63 | 77 Ų | 77 | 38% | 0.382 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -52.7 | -44 | 176.9 | -178.4 | 0 | 0 | 0 | 0 | 111.3 | Y111 R125 E126 | Y111-V122 HydrophobicContact CE2-CG2 4.06Å; V122-R125 PolarHBondContact O-N 3.28Å; V122-E126 PolarHBondContact O-N 2.81Å |
| 123 | M | 89.7 | Confident | 90.5 | Very high | 109 Ų | 109 | 76.5 Ų | 76.5 | 54% | 0.537 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -70 | -37.5 | -178.7 | -57.3 | -56.7 | -71.8 | 0 | 0 | 112.9 | H105 C121 E126 S127 | H105-M123 HydrophobicContact CB-CB 4.24Å; H105-M123 HydrophobicContact CB-CG 4.34Å; C121-M123 PolarHBondContact O-N 3.5Å; M123-E126 PolarHBondContact O-N 3.37Å; M123-S127 PolarHBondContact O-N 3.23Å |
| 124 | C | 90.6 | Very high | 90.4 | Very high | 13 Ų | 13 | 80.1 Ų | 80.1 | 9% | 0.088 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -67 | -39.2 | 176.1 | -75.2 | 0 | 0 | 0 | 0 | 112 | C102 H105 L120 C121 E126 S127 H130 | C102-C124 PolarHBondContact SG-SG 3Å; H105-C124 PolarHBondContact CE1-SG 3.46Å; H105-C124 PolarHBondContact ND1-SG 3.45Å; L120-C124 HydrophobicContact CB-CB 3.86Å; L120-C124 HydrophobicContact CD2-CB 4.05Å; L120-C124 HydrophobicContact CG-CB 4.46Å; C121-C124 PolarHBondContact O-N 3.09Å; C121-C124 PolarHBondContact SG-N 2.91Å; C121-C124 VanDerWaalsContact SG-N 3.42Å; C124-E126 VanDerWaalsContact C-N 3.29Å; C124-E126 PolarHBondContact O-N 3.11Å; C124-S127 VanDerWaalsContact O-CB 3.23Å; C124-S127 WeakPolarHBondContact O-CB 3.37Å; C124-S127 PolarHBondContact O-N 2.91Å; C124-S127 VanDerWaalsContact O-N 3.14Å; C124-S127 PolarHBondContact O-OG 3.28Å; C124-H130 WeakPolarHBondContact O-CB 3.46Å |
| 125 | R | 90.2 | Very high | 90.4 | Very high | 90 Ų | 90 | 76 Ų | 76 | 34% | 0.34 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -57.9 | -40.8 | 176 | 174.9 | 177.3 | 176.6 | -103.9 | 9.6 | 112.4 | Y111 L120 C121 V122 S127 A135 | Y111-R125 HydrophobicContact CD2-CB 4.37Å; L120-R125 HydrophobicContact CD1-CB 4.35Å; C121-R125 PolarHBondContact O-N 3.07Å; V122-R125 PolarHBondContact O-N 3.28Å; R125-S127 VanDerWaalsContact C-N 3.31Å; R125-A135 HydrophobicContact CG-CB 4.02Å |
| 126 | E | 89 | Confident | 90.5 | Very high | 105 Ų | 105 | 72.8 Ų | 72.8 | 49% | 0.491 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -6.1 | 179.8 | -58.8 | -55.7 | 142 | 0 | 0 | 113.6 | V122 M123 C124 | V122-E126 PolarHBondContact O-N 2.81Å; M123-E126 PolarHBondContact O-N 3.37Å; C124-E126 VanDerWaalsContact C-N 3.29Å; C124-E126 PolarHBondContact O-N 3.11Å |
| 127 | S | 88.6 | Confident | 90.5 | Very high | 24 Ų | 24 | 73.9 Ų | 73.9 | 17% | 0.168 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -65 | 153.6 | 179.1 | 76.8 | 0 | 0 | 0 | 0 | 111.5 | M123 C124 R125 E129 H130 R131 | M123-S127 PolarHBondContact O-N 3.23Å; C124-S127 VanDerWaalsContact O-CB 3.23Å; C124-S127 WeakPolarHBondContact O-CB 3.37Å; C124-S127 PolarHBondContact O-N 2.91Å; C124-S127 VanDerWaalsContact O-N 3.14Å; C124-S127 PolarHBondContact O-OG 3.28Å; R125-S127 VanDerWaalsContact C-N 3.31Å; S127-E129 PolarHBondContact O-N 3.45Å; S127-E129 PolarHBondContact OG-N 3.24Å; S127-H130 PolarHBondContact O-N 3.04Å; S127-H130 PolarHBondContact OG-N 2.82Å; S127-R131 WeakPolarHBondContact O-CB 3.42Å; S127-R131 PolarHBondContact O-N 3.07Å |
| 128 | R | 88.2 | Confident | 90.4 | Very high | 238 Ų | 238 | 74.2 Ų | 74.2 | 90% | 0.898 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -24.4 | 175.6 | -64.6 | -176.1 | -177.9 | -158.3 | 0.7 | 113 | ||
| 129 | E | 87.7 | Confident | 90.3 | Very high | 108 Ų | 108 | 75.5 Ų | 75.5 | 51% | 0.505 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -44.3 | 179.5 | -63.8 | 169.4 | -147.2 | 0 | 0 | 111.9 | R104 S127 | R104-E129 IonicContact CZ-OE1 3.82Å; R104-E129 IonicContact NH1-OE1 2.88Å; R104-E129 PolarHBondContact NH1-OE1 2.83Å; R104-E129 IonicContact NH1-OE2 3.36Å; R104-E129 PolarHBondContact NH1-OE2 3.02Å; R104-E129 IonicContact NH2-OE1 3.8Å; S127-E129 PolarHBondContact O-N 3.45Å; S127-E129 PolarHBondContact OG-N 3.24Å |
| 130 | H | 89 | Confident | 90.2 | Very high | 11 Ų | 11 | 79 Ų | 79 | 5% | 0.051 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | -7.3 | -175.3 | -63.9 | -72.7 | 0 | 0 | 0 | 115 | C113 D116 L120 C124 S127 P132 H133 | C113-H130 PolarHBondContact SG-ND1 3Å; D116-H130 IonicContact OD2-CE1 2.84Å; D116-H130 PolarHBondContact OD2-CE1 3.34Å; D116-H130 IonicContact OD2-ND1 3.1Å; D116-H130 PolarHBondContact OD2-ND1 3.29Å; L120-H130 HydrophobicContact CD1-CB 3.72Å; L120-H130 VanDerWaalsContact CD2-CD2 3.49Å; L120-H130 WeakPolarHBondContact CD2-CD2 3.37Å; L120-H130 VanDerWaalsContact CD2-NE2 3.28Å; L120-H130 WeakPolarHBondContact CD2-NE2 3.49Å; C124-H130 WeakPolarHBondContact O-CB 3.46Å; S127-H130 PolarHBondContact O-N 3.04Å; S127-H130 PolarHBondContact OG-N 2.82Å; H130-P132 VanDerWaalsContact C-N 3.31Å; H130-H133 AromaticContact ND1-ND1 3.79Å; H130-H133 WeakPolarHBondContact O-CB 3.41Å; H130-H133 PolarHBondContact O-N 3.17Å |
| 131 | R | 87.3 | Confident | 90.2 | Very high | 189 Ų | 189 | 79.5 Ų | 79.5 | 71% | 0.713 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -35.9 | 177.1 | -175.4 | 174 | -178.5 | 163.3 | 1.7 | 114.7 | S127 H133 | S127-R131 WeakPolarHBondContact O-CB 3.42Å; S127-R131 PolarHBondContact O-N 3.07Å; R131-H133 VanDerWaalsContact C-N 3.34Å |
| 132 | P | 90.7 | Very high | 90.2 | Very high | 103 Ų | 103 | 80.7 Ų | 80.7 | 67% | 0.669 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -6.4 | 175.3 | 32.4 | -32.6 | 0 | 0 | 0 | 113.8 | H130 | H130-P132 VanDerWaalsContact C-N 3.31Š|
| 133 | H | 94.2 | Very high | 90.2 | Very high | 57 Ų | 57 | 82.5 Ų | 82.5 | 26% | 0.264 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -92.5 | 156.6 | -174.9 | -63.6 | 177.4 | 0 | 0 | 0 | 112.4 | C113 D115 D116 H130 R131 A135 | C113-H133 WeakPolarHBondContact SG-CB 3.44Å; D115-H133 HydrophobicContact CB-CB 4.06Å; D115-H133 WeakPolarHBondContact OD2-CA 3.46Å; D115-H133 WeakPolarHBondContact OD2-CB 3.48Å; D115-H133 IonicContact OD2-CG 3.61Å; D116-H133 IonicContact OD1-CE1 3.79Å; D116-H133 PolarHBondContact OD1-CE1 3.35Å; D116-H133 IonicContact OD1-ND1 3.07Å; D116-H133 IonicContact OD2-CE1 2.83Å; D116-H133 PolarHBondContact OD2-CE1 3.49Å; D116-H133 IonicContact OD2-CG 2.95Å; D116-H133 IonicContact OD2-ND1 3.19Å; D116-H133 PolarHBondContact OD2-ND1 3.25Å; H130-H133 AromaticContact ND1-ND1 3.79Å; H130-H133 WeakPolarHBondContact O-CB 3.41Å; H130-H133 PolarHBondContact O-N 3.17Å; R131-H133 VanDerWaalsContact C-N 3.34Å; H133-A135 PolarHBondContact O-N 3.22Å |
| 134 | T | 91.4 | Very high | 90.3 | Very high | 76 Ų | 76 | 80.5 Ų | 80.5 | 47% | 0.466 | 40% | 0.396 | S | S | . | . | trans | -79.8 | 106.3 | 176.6 | -56.5 | 0 | 0 | 0 | 0 | 109.4 | E114 D115 | E114-T134 PolarHBondContact N-O 3.05Å; E114-T134 WeakPolarHBondContact OE2-CG2 3.41Å; D115-T134 PolarHBondContact OD2-N 2.88Å | ||
| 135 | A | 91.7 | Very high | 90.3 | Very high | 22 Ų | 22 | 84.9 Ų | 84.9 | 18% | 0.182 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 119.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y112 L120 R125 H133 | Y112-A135 WeakPolarHBondContact O-CA 3.25Å; L120-A135 HydrophobicContact CD1-CB 4.32Å; R125-A135 HydrophobicContact CG-CB 4.02Å; H133-A135 PolarHBondContact O-N 3.22Å |
| 136 | V | 91.9 | Very high | 90.5 | Very high | 27 Ų | 27 | 87.3 Ų | 87.3 | 16% | 0.164 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 161.9 | 177.2 | -69.8 | 0 | 0 | 0 | 0 | 110.6 | Y111 Y112 E114 A141 | Y111-V136 CarbonylContact C-O 3.05Å; Y111-V136 WeakPolarHBondContact CA-O 3.45Å; Y112-V136 PolarHBondContact N-O 3.35Å; Y112-V136 PolarHBondContact O-N 3.21Å; E114-V136 HydrophobicContact CG-CG2 4.15Å; V136-A141 HydrophobicContact CG2-CB 3.77Å |
| 137 | L | 92.6 | Very high | 90.7 | Very high | 88 Ų | 88 | 88.1 Ų | 88.1 | 46% | 0.461 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 139.5 | 173.8 | -70.2 | 170.7 | 0 | 0 | 0 | 110.5 | H110 Y111 E139 K140 A141 | H110-L137 HydrophobicContact CB-CD2 4.48Å; H110-L137 WeakPolarHBondContact O-CA 3.26Å; Y111-L137 HydrophobicContact CD1-CD2 4.13Å; Y111-L137 HydrophobicContact CE1-CD2 3.83Å; Y111-L137 HydrophobicContact CE1-CG 4.49Å; L137-E139 PolarHBondContact O-N 3.06Å; L137-K140 HydrophobicContact CB-CB 4.39Å; L137-K140 WeakPolarHBondContact O-CA 3.34Å; L137-K140 WeakPolarHBondContact O-CB 3.4Å; L137-K140 PolarHBondContact O-N 3.43Å; L137-A141 PolarHBondContact O-N 2.88Å |
| 138 | V | 90.3 | Very high | 91 | Very high | 50 Ų | 50 | 93.8 Ų | 93.8 | 30% | 0.303 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -52.9 | -41.9 | -178.3 | 173.1 | 0 | 0 | 0 | 0 | 111.8 | H110 L119 K140 A141 A142 | H110-V138 WeakPolarHBondContact O-CG2 3.31Å; H110-V138 PolarHBondContact O-N 3.46Å; L119-V138 HydrophobicContact CD2-CB 4.48Å; L119-V138 HydrophobicContact CD2-CG1 4.16Å; L119-V138 HydrophobicContact CD2-CG2 3.46Å; L119-V138 VanDerWaalsContact CD2-CG2 3.46Å; V138-K140 VanDerWaalsContact C-N 3.32Å; V138-K140 PolarHBondContact O-N 3.35Å; V138-A141 PolarHBondContact O-N 3.38Å; V138-A142 WeakPolarHBondContact O-CB 3.45Å; V138-A142 PolarHBondContact O-N 2.98Å |
| 139 | E | 87.6 | Confident | 91.4 | Very high | 139 Ų | 139 | 87.7 Ų | 87.7 | 65% | 0.65 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -59.8 | -42.6 | 177.1 | -69.7 | 166.5 | -163.5 | 0 | 0 | 112.1 | L137 A142 L143 | L137-E139 PolarHBondContact O-N 3.06Å; E139-A142 PolarHBondContact O-N 2.9Å; E139-L143 WeakPolarHBondContact O-CG 3.34Å; E139-L143 PolarHBondContact O-N 2.89Å |
| 140 | K | 89.9 | Confident | 91.8 | Very high | 143 Ų | 143 | 87.3 Ų | 87.3 | 62% | 0.622 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -70.6 | -42 | 178.8 | -170.1 | 179.6 | 180 | -176.3 | 0 | 111.4 | L137 V138 A142 L143 | L137-K140 HydrophobicContact CB-CB 4.39Å; L137-K140 WeakPolarHBondContact O-CA 3.34Å; L137-K140 WeakPolarHBondContact O-CB 3.4Å; L137-K140 PolarHBondContact O-N 3.43Å; V138-K140 VanDerWaalsContact C-N 3.32Å; V138-K140 PolarHBondContact O-N 3.35Å; K140-A142 PolarHBondContact O-N 3.08Å; K140-L143 PolarHBondContact O-N 3.13Å |
| 141 | A | 91.1 | Very high | 92.1 | Very high | 14 Ų | 14 | 91 Ų | 91 | 12% | 0.116 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -59.4 | -36.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y112 V136 L137 V138 L143 P144 H145 | Y112-A141 HydrophobicContact CD1-CB 3.66Å; Y112-A141 HydrophobicContact CG-CB 3.92Å; V136-A141 HydrophobicContact CG2-CB 3.77Å; L137-A141 PolarHBondContact O-N 2.88Å; V138-A141 PolarHBondContact O-N 3.38Å; A141-L143 PolarHBondContact O-N 3.33Å; A141-P144 WeakPolarHBondContact O-CD 3.5Å; A141-H145 PolarHBondContact O-CD2 3.45Å; A141-H145 VanDerWaalsContact O-CD2 3.29Å |
| 142 | A | 92.2 | Very high | 92.5 | Very high | 25 Ų | 25 | 87.6 Ų | 87.6 | 21% | 0.207 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -72.5 | -23.4 | -179 | 0 | 0 | 0 | 0 | 0 | 113.9 | V138 E139 K140 H145 R146 | V138-A142 WeakPolarHBondContact O-CB 3.45Å; V138-A142 PolarHBondContact O-N 2.98Å; E139-A142 PolarHBondContact O-N 2.9Å; K140-A142 PolarHBondContact O-N 3.08Å; A142-H145 PolarHBondContact O-N 2.93Å; A142-R146 WeakPolarHBondContact O-CB 3.5Å; A142-R146 WeakPolarHBondContact O-CG 3.46Å; A142-R146 PolarHBondContact O-N 3.16Å |
| 143 | L | 91.2 | Very high | 92.8 | Very high | 102 Ų | 102 | 85.7 Ų | 85.7 | 53% | 0.534 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -57.7 | -51.5 | -173.4 | -69.8 | 173.8 | 0 | 0 | 0 | 113.5 | E139 K140 A141 H145 R146 E147 | E139-L143 WeakPolarHBondContact O-CG 3.34Å; E139-L143 PolarHBondContact O-N 2.89Å; K140-L143 PolarHBondContact O-N 3.13Å; A141-L143 PolarHBondContact O-N 3.33Å; L143-H145 VanDerWaalsContact C-N 3.29Å; L143-H145 PolarHBondContact O-N 3.42Å; L143-R146 PolarHBondContact O-N 3.01Å; L143-E147 PolarHBondContact O-N 3.2Å |
| 144 | P | 91.1 | Very high | 92.9 | Very high | 67 Ų | 67 | 86.5 Ų | 86.5 | 44% | 0.435 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -65.1 | -33.1 | 179.9 | -20.3 | 33.9 | 0 | 0 | 0 | 112.7 | A141 K148 | A141-P144 WeakPolarHBondContact O-CD 3.5Å; P144-K148 WeakPolarHBondContact O-CG 3.23Å; P144-K148 PolarHBondContact O-N 3.12Å |
| 145 | H | 91 | Very high | 93.2 | Very high | 105 Ų | 105 | 85.3 Ų | 85.3 | 49% | 0.486 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -69.6 | -42.2 | 175.6 | -65.7 | -72.2 | 0 | 0 | 0 | 111.5 | A141 A142 L143 E147 K148 I149 | A141-H145 PolarHBondContact O-CD2 3.45Å; A141-H145 VanDerWaalsContact O-CD2 3.29Å; A142-H145 PolarHBondContact O-N 2.93Å; L143-H145 VanDerWaalsContact C-N 3.29Å; L143-H145 PolarHBondContact O-N 3.42Å; H145-E147 VanDerWaalsContact C-N 3.33Å; H145-E147 PolarHBondContact O-N 2.84Å; H145-K148 PolarHBondContact O-N 2.94Å; H145-I149 WeakPolarHBondContact O-CB 3.43Å; H145-I149 VanDerWaalsContact O-CG1 3.24Å; H145-I149 WeakPolarHBondContact O-CG1 3.26Å; H145-I149 PolarHBondContact O-N 3.48Å |
| 146 | R | 93.6 | Very high | 93.5 | Very high | 140 Ų | 140 | 88.7 Ų | 88.7 | 53% | 0.528 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -59.3 | -44.6 | 173.8 | -75.5 | 173.3 | 175.9 | 157.7 | -3.1 | 111 | A142 L143 I149 L150 | A142-R146 WeakPolarHBondContact O-CB 3.5Å; A142-R146 WeakPolarHBondContact O-CG 3.46Å; A142-R146 PolarHBondContact O-N 3.16Å; L143-R146 PolarHBondContact O-N 3.01Å; R146-I149 PolarHBondContact O-N 3.35Å; R146-L150 WeakPolarHBondContact O-CB 3.23Å; R146-L150 VanDerWaalsContact O-CG 3.26Å; R146-L150 WeakPolarHBondContact O-CG 3.34Å; R146-L150 PolarHBondContact O-N 3.29Å |
| 147 | E | 94.2 | Very high | 93.8 | Very high | 122 Ų | 122 | 93.6 Ų | 93.6 | 57% | 0.57 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -62.2 | -46.2 | 176.9 | -172.3 | 178.9 | -173.6 | 0 | 0 | 112 | L143 H145 I149 L150 N151 | L143-E147 PolarHBondContact O-N 3.2Å; H145-E147 VanDerWaalsContact C-N 3.33Å; H145-E147 PolarHBondContact O-N 2.84Å; E147-I149 VanDerWaalsContact C-N 3.34Å; E147-I149 PolarHBondContact O-N 3.12Å; E147-L150 PolarHBondContact O-N 3.47Å; E147-N151 WeakPolarHBondContact O-CB 3.3Å; E147-N151 VanDerWaalsContact O-CG 3.29Å; E147-N151 PolarHBondContact O-N 2.91Å; E147-N151 PolarHBondContact O-ND2 2.9Å |
| 148 | K | 95 | Very high | 94 | Very high | 144 Ų | 144 | 96.4 Ų | 96.4 | 63% | 0.626 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -58.4 | -44.2 | 174.5 | -75.1 | 175.3 | -177.5 | 178.6 | 0 | 112.2 | P144 H145 N151 H152 | P144-K148 WeakPolarHBondContact O-CG 3.23Å; P144-K148 PolarHBondContact O-N 3.12Å; H145-K148 PolarHBondContact O-N 2.94Å; K148-N151 PolarHBondContact O-N 2.91Å; K148-H152 PolarHBondContact O-N 2.92Å |
| 149 | I | 95.6 | Very high | 94.4 | Very high | 110 Ų | 110 | 96.9 Ų | 96.9 | 56% | 0.564 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -63.8 | -45.6 | 177.4 | -69.8 | 165.6 | 0 | 0 | 0 | 110.6 | H145 R146 E147 N151 H152 L153 | H145-I149 WeakPolarHBondContact O-CB 3.43Å; H145-I149 VanDerWaalsContact O-CG1 3.24Å; H145-I149 WeakPolarHBondContact O-CG1 3.26Å; H145-I149 PolarHBondContact O-N 3.48Å; R146-I149 PolarHBondContact O-N 3.35Å; E147-I149 VanDerWaalsContact C-N 3.34Å; E147-I149 PolarHBondContact O-N 3.12Å; I149-N151 VanDerWaalsContact C-N 3.34Å; I149-N151 PolarHBondContact O-N 3.32Å; I149-H152 PolarHBondContact O-N 2.97Å; I149-L153 WeakPolarHBondContact O-CB 3.27Å; I149-L153 PolarHBondContact O-N 3.38Å |
| 150 | L | 96.1 | Very high | 94.9 | Very high | 100 Ų | 100 | 96.3 Ų | 96.3 | 52% | 0.524 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.4 | -40.9 | 177.8 | -72.4 | 171.4 | 0 | 0 | 0 | 111.8 | R146 E147 L153 N154 | R146-L150 WeakPolarHBondContact O-CB 3.23Å; R146-L150 VanDerWaalsContact O-CG 3.26Å; R146-L150 WeakPolarHBondContact O-CG 3.34Å; R146-L150 PolarHBondContact O-N 3.29Å; E147-L150 PolarHBondContact O-N 3.47Å; L150-L153 PolarHBondContact O-N 3.28Å; L150-N154 WeakPolarHBondContact O-CB 3.44Å; L150-N154 VanDerWaalsContact O-CG 3.26Å; L150-N154 PolarHBondContact O-N 3Å; L150-N154 PolarHBondContact O-ND2 3.07Å |
| 151 | N | 95.4 | Very high | 95.2 | Very high | 89 Ų | 89 | 93.2 Ų | 93.2 | 48% | 0.476 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.7 | -43.9 | 175.5 | -73.9 | -23.3 | 0 | 0 | 0 | 112 | E147 K148 I149 N154 T155 | E147-N151 WeakPolarHBondContact O-CB 3.3Å; E147-N151 VanDerWaalsContact O-CG 3.29Å; E147-N151 PolarHBondContact O-N 2.91Å; E147-N151 PolarHBondContact O-ND2 2.9Å; K148-N151 PolarHBondContact O-N 2.91Å; I149-N151 VanDerWaalsContact C-N 3.34Å; I149-N151 PolarHBondContact O-N 3.32Å; N151-N154 PolarHBondContact O-N 2.93Å; N151-T155 PolarHBondContact O-N 2.66Å; N151-T155 VanDerWaalsContact O-N 3.11Å; N151-T155 PolarHBondContact O-OG1 3.43Å |
| 152 | H | 96.6 | Very high | 95.5 | Very high | 117 Ų | 117 | 98.1 Ų | 98.1 | 54% | 0.542 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64.4 | -43.4 | 175.6 | -172 | 61.3 | 0 | 0 | 0 | 111.7 | K148 I149 N154 T155 L156 | K148-H152 PolarHBondContact O-N 2.92Å; I149-H152 PolarHBondContact O-N 2.97Å; H152-N154 VanDerWaalsContact C-N 3.33Å; H152-N154 PolarHBondContact O-N 2.89Å; H152-T155 WeakPolarHBondContact O-CA 3.47Å; H152-T155 WeakPolarHBondContact O-CB 3.5Å; H152-T155 PolarHBondContact O-N 2.96Å; H152-T155 VanDerWaalsContact O-N 3.07Å; H152-L156 WeakPolarHBondContact O-CG 3.41Å; H152-L156 PolarHBondContact O-N 3.12Å |
| 153 | L | 96.8 | Very high | 95.8 | Very high | 62 Ų | 62 | 102.2 Ų | 102.2 | 33% | 0.325 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.8 | -37.8 | 177.8 | -178.4 | 147.6 | 0 | 0 | 0 | 112.2 | I149 L150 T155 L156 R157 | I149-L153 WeakPolarHBondContact O-CB 3.27Å; I149-L153 PolarHBondContact O-N 3.38Å; L150-L153 PolarHBondContact O-N 3.28Å; L153-T155 VanDerWaalsContact C-N 3.35Å; L153-L156 PolarHBondContact O-N 3.18Å; L153-R157 VanDerWaalsContact CD2-NE 3.35Å; L153-R157 WeakPolarHBondContact O-CB 3.46Å; L153-R157 VanDerWaalsContact O-CG 3.29Å; L153-R157 WeakPolarHBondContact O-CG 3.46Å; L153-R157 PolarHBondContact O-N 3.48Å |
| 154 | N | 96.2 | Very high | 96.1 | Very high | 75 Ų | 75 | 102.4 Ų | 102.4 | 40% | 0.401 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.9 | -35.4 | 172 | -74.1 | -24.8 | 0 | 0 | 0 | 112.6 | L150 N151 H152 R158 | L150-N154 WeakPolarHBondContact O-CB 3.44Å; L150-N154 VanDerWaalsContact O-CG 3.26Å; L150-N154 PolarHBondContact O-N 3Å; L150-N154 PolarHBondContact O-ND2 3.07Å; N151-N154 PolarHBondContact O-N 2.93Å; H152-N154 VanDerWaalsContact C-N 3.33Å; H152-N154 PolarHBondContact O-N 2.89Å; N154-R158 WeakPolarHBondContact O-CG 3.26Å; N154-R158 PolarHBondContact O-N 3.37Å; N154-R158 VanDerWaalsContact O-N 3.15Å; N154-R158 PolarHBondContact O-NE 3.12Å |
| 155 | T | 97 | Very high | 96.4 | Very high | 50 Ų | 50 | 101.2 Ų | 101.2 | 31% | 0.307 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.4 | -48.8 | 173.2 | -61 | 0 | 0 | 0 | 0 | 111.5 | N151 H152 L153 R157 R158 D159 | N151-T155 PolarHBondContact O-N 2.66Å; N151-T155 VanDerWaalsContact O-N 3.11Å; N151-T155 PolarHBondContact O-OG1 3.43Å; H152-T155 WeakPolarHBondContact O-CA 3.47Å; H152-T155 WeakPolarHBondContact O-CB 3.5Å; H152-T155 PolarHBondContact O-N 2.96Å; H152-T155 VanDerWaalsContact O-N 3.07Å; L153-T155 VanDerWaalsContact C-N 3.35Å; T155-R157 VanDerWaalsContact C-N 3.31Å; T155-R157 PolarHBondContact O-N 3.47Å; T155-R158 WeakPolarHBondContact O-CB 3.03Å; T155-R158 PolarHBondContact O-N 3.35Å; T155-R158 VanDerWaalsContact O-N 3.13Å; T155-R158 PolarHBondContact OG1-NH2 3.25Å; T155-D159 PolarHBondContact O-N 3.46Å |
| 156 | L | 97.9 | Very high | 96.7 | Very high | 94 Ų | 94 | 103.4 Ų | 103.4 | 49% | 0.492 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.3 | -38.2 | 177.3 | -68 | 179.3 | 0 | 0 | 0 | 112.7 | H152 L153 D159 R160 | H152-L156 WeakPolarHBondContact O-CG 3.41Å; H152-L156 PolarHBondContact O-N 3.12Å; L153-L156 PolarHBondContact O-N 3.18Å; L156-D159 PolarHBondContact O-N 2.89Å; L156-R160 WeakPolarHBondContact O-CB 3.49Å; L156-R160 PolarHBondContact O-N 2.94Å |
| 157 | R | 97.9 | Very high | 96.9 | Very high | 130 Ų | 130 | 102 Ų | 102 | 49% | 0.491 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.1 | -46.9 | 173.6 | -77.7 | 174.9 | 175.8 | 172.6 | -3.1 | 111.9 | L153 T155 D159 R160 D161 | L153-R157 VanDerWaalsContact CD2-NE 3.35Å; L153-R157 WeakPolarHBondContact O-CB 3.46Å; L153-R157 VanDerWaalsContact O-CG 3.29Å; L153-R157 WeakPolarHBondContact O-CG 3.46Å; L153-R157 PolarHBondContact O-N 3.48Å; T155-R157 VanDerWaalsContact C-N 3.31Å; T155-R157 PolarHBondContact O-N 3.47Å; R157-D159 VanDerWaalsContact C-N 3.3Å; R157-D159 PolarHBondContact O-N 3.06Å; R157-R160 PolarHBondContact O-N 2.96Å; R157-D161 PolarHBondContact O-N 3.46Å |
| 158 | R | 97.4 | Very high | 97.1 | Very high | 147 Ų | 147 | 99.1 Ų | 99.1 | 56% | 0.555 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -59.5 | -41.6 | 175.3 | -74.3 | -179.1 | -68.2 | 167.6 | 0.3 | 111.7 | N154 T155 D161 K162 | N154-R158 WeakPolarHBondContact O-CG 3.26Å; N154-R158 PolarHBondContact O-N 3.37Å; N154-R158 VanDerWaalsContact O-N 3.15Å; N154-R158 PolarHBondContact O-NE 3.12Å; T155-R158 WeakPolarHBondContact O-CB 3.03Å; T155-R158 PolarHBondContact O-N 3.35Å; T155-R158 VanDerWaalsContact O-N 3.13Å; T155-R158 PolarHBondContact OG1-NH2 3.25Å; R158-D161 PolarHBondContact O-N 2.94Å; R158-K162 VanDerWaalsContact O-CG 3.28Å; R158-K162 WeakPolarHBondContact O-CG 3.31Å; R158-K162 PolarHBondContact O-N 3.34Å |
| 159 | D | 97.8 | Very high | 97.3 | Very high | 60 Ų | 60 | 98.6 Ų | 98.6 | 32% | 0.321 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -70.3 | -37.9 | 179.9 | -66.3 | -22.6 | 0 | 0 | 0 | 112.2 | T155 L156 R157 K162 I163 | T155-D159 PolarHBondContact O-N 3.46Å; L156-D159 PolarHBondContact O-N 2.89Å; R157-D159 VanDerWaalsContact C-N 3.3Å; R157-D159 PolarHBondContact O-N 3.06Å; D159-K162 PolarHBondContact O-N 3.43Å; D159-K162 IonicContact OD1-NZ 2.71Å; D159-K162 PolarHBondContact OD1-NZ 3.07Å; D159-I163 VanDerWaalsContact O-CG1 3.3Å; D159-I163 WeakPolarHBondContact O-CG1 2.95Å; D159-I163 PolarHBondContact O-N 3.13Å |
| 160 | R | 98.1 | Very high | 97.4 | Very high | 127 Ų | 127 | 94.7 Ų | 94.7 | 48% | 0.479 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -57.5 | -49.5 | 169.2 | 178.9 | -158.5 | 65 | -164.9 | -2.7 | 111.3 | L156 R157 K162 I163 Q164 | L156-R160 WeakPolarHBondContact O-CB 3.49Å; L156-R160 PolarHBondContact O-N 2.94Å; R157-R160 PolarHBondContact O-N 2.96Å; R160-K162 VanDerWaalsContact C-N 3.3Å; R160-K162 PolarHBondContact O-N 3.23Å; R160-I163 PolarHBondContact O-N 3.38Å; R160-I163 VanDerWaalsContact O-N 3.17Å; R160-Q164 WeakPolarHBondContact O-CG 3.35Å; R160-Q164 PolarHBondContact O-N 3.39Å |
| 161 | D | 97.5 | Very high | 97.5 | Very high | 77 Ų | 77 | 94.9 Ų | 94.9 | 41% | 0.412 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.5 | -37 | -177.8 | -60.8 | -15.3 | 0 | 0 | 0 | 111 | R157 R158 G165 | R157-D161 PolarHBondContact O-N 3.46Å; R158-D161 PolarHBondContact O-N 2.94Å; D161-G165 PolarHBondContact O-N 2.97Å |
| 162 | K | 97.9 | Very high | 97.6 | Very high | 117 Ų | 117 | 93.3 Ų | 93.3 | 51% | 0.509 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -60.8 | -49.1 | 170.6 | -72.7 | 171.6 | -165.7 | 160.5 | 0 | 111.8 | R158 D159 R160 Q164 G165 F166 | R158-K162 VanDerWaalsContact O-CG 3.28Å; R158-K162 WeakPolarHBondContact O-CG 3.31Å; R158-K162 PolarHBondContact O-N 3.34Å; D159-K162 PolarHBondContact O-N 3.43Å; D159-K162 IonicContact OD1-NZ 2.71Å; D159-K162 PolarHBondContact OD1-NZ 3.07Å; R160-K162 VanDerWaalsContact C-N 3.3Å; R160-K162 PolarHBondContact O-N 3.23Å; K162-Q164 VanDerWaalsContact C-N 3.33Å; K162-Q164 PolarHBondContact O-N 3.31Å; K162-G165 PolarHBondContact O-N 3.39Å; K162-F166 HydrophobicContact CB-CE2 4.43Å; K162-F166 WeakPolarHBondContact O-CD2 3.45Å; K162-F166 PolarHBondContact O-N 3Å |
| 163 | I | 97.9 | Very high | 97.7 | Very high | 111 Ų | 111 | 92.4 Ų | 92.4 | 57% | 0.569 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -60.8 | -43.9 | -179.9 | -70.2 | 166.4 | 0 | 0 | 0 | 110.5 | D159 R160 G165 F166 Q167 | D159-I163 VanDerWaalsContact O-CG1 3.3Å; D159-I163 WeakPolarHBondContact O-CG1 2.95Å; D159-I163 PolarHBondContact O-N 3.13Å; R160-I163 PolarHBondContact O-N 3.38Å; R160-I163 VanDerWaalsContact O-N 3.17Å; I163-G165 VanDerWaalsContact C-N 3.33Å; I163-G165 PolarHBondContact O-N 3.07Å; I163-F166 PolarHBondContact O-N 3.12Å; I163-Q167 WeakPolarHBondContact O-CB 3.24Å; I163-Q167 PolarHBondContact O-N 3.11Å |
| 164 | Q | 97.5 | Very high | 97.8 | Very high | 107 Ų | 107 | 94.5 Ų | 94.5 | 50% | 0.5 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.5 | -41.3 | 175.3 | -72.5 | 178.6 | -39.2 | 0 | 0 | 111.9 | R160 K162 Q167 A168 | R160-Q164 WeakPolarHBondContact O-CG 3.35Å; R160-Q164 PolarHBondContact O-N 3.39Å; K162-Q164 VanDerWaalsContact C-N 3.33Å; K162-Q164 PolarHBondContact O-N 3.31Å; Q164-Q167 PolarHBondContact O-N 3.41Å; Q164-A168 WeakPolarHBondContact O-CB 3.34Å; Q164-A168 PolarHBondContact O-N 2.73Å |
| 165 | G | 97.6 | Very high | 97.9 | Very high | 42 Ų | 42 | 96.2 Ų | 96.2 | 43% | 0.433 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.4 | -44.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113 | D161 K162 I163 K169 | D161-G165 PolarHBondContact O-N 2.97Å; K162-G165 PolarHBondContact O-N 3.39Å; I163-G165 VanDerWaalsContact C-N 3.33Å; I163-G165 PolarHBondContact O-N 3.07Å; G165-K169 WeakPolarHBondContact O-CB 3.44Å; G165-K169 PolarHBondContact O-N 3.47Å |
| 166 | F | 97.7 | Very high | 98 | Very high | 151 Ų | 151 | 96.8 Ų | 96.8 | 66% | 0.662 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.1 | -39.9 | 175.2 | -77.5 | -63.7 | 0 | 0 | 0 | 112.5 | K162 I163 K169 G170 | K162-F166 HydrophobicContact CB-CE2 4.43Å; K162-F166 WeakPolarHBondContact O-CD2 3.45Å; K162-F166 PolarHBondContact O-N 3Å; I163-F166 PolarHBondContact O-N 3.12Å; F166-K169 PolarHBondContact O-N 3.39Å; F166-G170 PolarHBondContact O-N 3.02Å |
| 167 | Q | 97.6 | Very high | 98 | Very high | 111 Ų | 111 | 94.9 Ų | 94.9 | 52% | 0.519 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.6 | -50.8 | 177.2 | -176.6 | -179.7 | -14.3 | 0 | 0 | 111 | I163 Q164 K169 G170 E171 | I163-Q167 WeakPolarHBondContact O-CB 3.24Å; I163-Q167 PolarHBondContact O-N 3.11Å; Q164-Q167 PolarHBondContact O-N 3.41Å; Q167-K169 VanDerWaalsContact C-N 3.29Å; Q167-K169 PolarHBondContact O-N 3.05Å; Q167-G170 PolarHBondContact O-N 3.12Å; Q167-E171 WeakPolarHBondContact CG-OE1 3.41Å; Q167-E171 PolarHBondContact NE2-OE1 3.42Å; Q167-E171 WeakPolarHBondContact O-CB 3.38Å; Q167-E171 WeakPolarHBondContact O-CG 3.48Å; Q167-E171 PolarHBondContact O-N 2.93Å |
| 168 | A | 98 | Very high | 98 | Very high | 61 Ų | 61 | 93.4 Ų | 93.4 | 50% | 0.504 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.6 | -39.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | Q164 A172 | Q164-A168 WeakPolarHBondContact O-CB 3.34Å; Q164-A168 PolarHBondContact O-N 2.73Å; A168-A172 WeakPolarHBondContact O-CB 3.49Å; A168-A172 PolarHBondContact O-N 3.25Å |
| 169 | K | 98.1 | Very high | 98.1 | Very high | 133 Ų | 133 | 90.2 Ų | 90.2 | 58% | 0.578 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.5 | -48.1 | 174.7 | -174.9 | 179.9 | 177.3 | -176.7 | 0 | 111.8 | G165 F166 Q167 E171 A172 D173 | G165-K169 WeakPolarHBondContact O-CB 3.44Å; G165-K169 PolarHBondContact O-N 3.47Å; F166-K169 PolarHBondContact O-N 3.39Å; Q167-K169 VanDerWaalsContact C-N 3.29Å; Q167-K169 PolarHBondContact O-N 3.05Å; K169-E171 PolarHBondContact O-N 3.46Å; K169-A172 PolarHBondContact O-N 2.87Å; K169-D173 VanDerWaalsContact O-CG 3.3Å; K169-D173 PolarHBondContact O-N 2.98Å |
| 170 | G | 98.2 | Very high | 98.1 | Very high | 28 Ų | 28 | 93.6 Ų | 93.6 | 29% | 0.289 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.1 | -40.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | F166 Q167 D173 I174 | F166-G170 PolarHBondContact O-N 3.02Å; Q167-G170 PolarHBondContact O-N 3.12Å; G170-D173 PolarHBondContact O-N 3.31Å; G170-I174 WeakPolarHBondContact O-CB 3.49Å; G170-I174 VanDerWaalsContact O-CG1 3.25Å; G170-I174 WeakPolarHBondContact O-CG1 3.33Å; G170-I174 PolarHBondContact O-N 3.38Å |
| 171 | E | 98.3 | Very high | 98.1 | Very high | 104 Ų | 104 | 92.4 Ų | 92.4 | 49% | 0.486 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.5 | -43.9 | 173.7 | -75.4 | 175.4 | -166.1 | 0 | 0 | 111.6 | Q167 K169 I174 L175 | Q167-E171 WeakPolarHBondContact CG-OE1 3.41Å; Q167-E171 PolarHBondContact NE2-OE1 3.42Å; Q167-E171 WeakPolarHBondContact O-CB 3.38Å; Q167-E171 WeakPolarHBondContact O-CG 3.48Å; Q167-E171 PolarHBondContact O-N 2.93Å; K169-E171 PolarHBondContact O-N 3.46Å; E171-I174 PolarHBondContact O-N 3.47Å; E171-L175 WeakPolarHBondContact O-CB 3.5Å; E171-L175 WeakPolarHBondContact O-CG 3.42Å; E171-L175 PolarHBondContact O-N 3.45Å |
| 172 | A | 98.3 | Very high | 98.1 | Very high | 56 Ų | 56 | 93.2 Ų | 93.2 | 46% | 0.463 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.4 | -43.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A168 K169 I174 L175 A176 | A168-A172 WeakPolarHBondContact O-CB 3.49Å; A168-A172 PolarHBondContact O-N 3.25Å; K169-A172 PolarHBondContact O-N 2.87Å; A172-I174 PolarHBondContact O-N 3.32Å; A172-L175 PolarHBondContact O-N 3.39Å; A172-A176 WeakPolarHBondContact O-CB 3.48Å; A172-A176 PolarHBondContact O-N 2.89Å |
| 173 | D | 98.5 | Very high | 98.1 | Very high | 97 Ų | 97 | 93.2 Ų | 93.2 | 52% | 0.519 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.1 | -41.2 | 177.9 | -69.8 | -21 | 0 | 0 | 0 | 111.3 | K169 G170 A176 A177 | K169-D173 VanDerWaalsContact O-CG 3.3Å; K169-D173 PolarHBondContact O-N 2.98Å; G170-D173 PolarHBondContact O-N 3.31Å; D173-A176 PolarHBondContact O-N 2.96Å; D173-A177 PolarHBondContact O-N 3.39Å |
| 174 | I | 98.4 | Very high | 98.1 | Very high | 107 Ų | 107 | 92.7 Ų | 92.7 | 55% | 0.549 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.7 | -45.8 | 175.3 | -69.9 | 166.4 | 0 | 0 | 0 | 111 | G170 E171 A172 A176 A177 L178 | G170-I174 WeakPolarHBondContact O-CB 3.49Å; G170-I174 VanDerWaalsContact O-CG1 3.25Å; G170-I174 WeakPolarHBondContact O-CG1 3.33Å; G170-I174 PolarHBondContact O-N 3.38Å; E171-I174 PolarHBondContact O-N 3.47Å; A172-I174 PolarHBondContact O-N 3.32Å; I174-A176 VanDerWaalsContact C-N 3.32Å; I174-A176 PolarHBondContact O-N 2.93Å; I174-A177 PolarHBondContact O-N 3.36Å; I174-L178 HydrophobicContact CG2-CD1 3.97Å; I174-L178 HydrophobicContact CG2-CG 4.36Å; I174-L178 WeakPolarHBondContact O-CG 3.36Å; I174-L178 PolarHBondContact O-N 3Å |
| 175 | L | 98.3 | Very high | 98.2 | Very high | 111 Ų | 111 | 95.6 Ų | 95.6 | 58% | 0.581 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.9 | -38.6 | 178.2 | -75.2 | 170.6 | 0 | 0 | 0 | 112 | E171 A172 L178 T179 | E171-L175 WeakPolarHBondContact O-CB 3.5Å; E171-L175 WeakPolarHBondContact O-CG 3.42Å; E171-L175 PolarHBondContact O-N 3.45Å; A172-L175 PolarHBondContact O-N 3.39Å; L175-L178 PolarHBondContact O-N 3.01Å; L175-T179 WeakPolarHBondContact O-CB 3.08Å; L175-T179 PolarHBondContact O-N 2.95Å; L175-T179 PolarHBondContact O-OG1 3.4Å |
| 176 | A | 98.3 | Very high | 98.2 | Very high | 61 Ų | 61 | 99.4 Ų | 99.4 | 50% | 0.504 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.5 | -43.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | A172 D173 I174 T179 K180 | A172-A176 WeakPolarHBondContact O-CB 3.48Å; A172-A176 PolarHBondContact O-N 2.89Å; D173-A176 PolarHBondContact O-N 2.96Å; I174-A176 VanDerWaalsContact C-N 3.32Å; I174-A176 PolarHBondContact O-N 2.93Å; A176-T179 PolarHBondContact O-N 3.15Å; A176-K180 PolarHBondContact O-N 3.04Å |
| 177 | A | 98.4 | Very high | 98.2 | Very high | 54 Ų | 54 | 99.3 Ų | 99.3 | 45% | 0.446 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.9 | -43.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | D173 I174 T179 K180 L181 | D173-A177 PolarHBondContact O-N 3.39Å; I174-A177 PolarHBondContact O-N 3.36Å; A177-T179 VanDerWaalsContact C-N 3.35Å; A177-T179 PolarHBondContact O-N 3.17Å; A177-K180 PolarHBondContact O-N 3.27Å; A177-L181 WeakPolarHBondContact O-CG 3.43Å; A177-L181 PolarHBondContact O-N 3.04Å |
| 178 | L | 98.6 | Very high | 98.2 | Very high | 100 Ų | 100 | 98.6 Ų | 98.6 | 52% | 0.524 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.3 | -39.1 | 176.3 | -71.7 | 173.1 | 0 | 0 | 0 | 112.3 | I174 L175 L181 Q182 | I174-L178 HydrophobicContact CG2-CD1 3.97Å; I174-L178 HydrophobicContact CG2-CG 4.36Å; I174-L178 WeakPolarHBondContact O-CG 3.36Å; I174-L178 PolarHBondContact O-N 3Å; L175-L178 PolarHBondContact O-N 3.01Å; L178-L181 PolarHBondContact O-N 3.15Å; L178-Q182 PolarHBondContact O-N 3Å |
| 179 | T | 98.4 | Very high | 98.2 | Very high | 79 Ų | 79 | 100.1 Ų | 100.1 | 49% | 0.485 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.1 | -45.8 | 175.5 | -56.5 | 0 | 0 | 0 | 0 | 110.7 | L175 A176 A177 L181 Q182 E183 | L175-T179 WeakPolarHBondContact O-CB 3.08Å; L175-T179 PolarHBondContact O-N 2.95Å; L175-T179 PolarHBondContact O-OG1 3.4Å; A176-T179 PolarHBondContact O-N 3.15Å; A177-T179 VanDerWaalsContact C-N 3.35Å; A177-T179 PolarHBondContact O-N 3.17Å; T179-L181 PolarHBondContact O-N 3.42Å; T179-Q182 WeakPolarHBondContact O-CB 3.38Å; T179-Q182 PolarHBondContact O-N 2.82Å; T179-Q182 VanDerWaalsContact O-N 3.11Å; T179-E183 WeakPolarHBondContact O-CG 3.45Å; T179-E183 PolarHBondContact O-N 2.7Å |
| 180 | K | 98.3 | Very high | 98.2 | Very high | 131 Ų | 131 | 96.3 Ų | 96.3 | 57% | 0.57 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.7 | -42.1 | 176.2 | -173 | 176.6 | -178 | 178.5 | 0 | 112.6 | A176 A177 Q182 E183 Q184 | A176-K180 PolarHBondContact O-N 3.04Å; A177-K180 PolarHBondContact O-N 3.27Å; K180-Q182 VanDerWaalsContact C-N 3.29Å; K180-Q182 PolarHBondContact O-N 2.77Å; K180-E183 PolarHBondContact O-N 3.32Å; K180-Q184 WeakPolarHBondContact O-CG 3.34Å; K180-Q184 PolarHBondContact O-N 3.09Å |
| 181 | L | 98.3 | Very high | 98.2 | Very high | 102 Ų | 102 | 99 Ų | 99 | 53% | 0.534 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.2 | -36.9 | 175.1 | -71 | 176.7 | 0 | 0 | 0 | 111.9 | A177 L178 T179 Q184 R185 | A177-L181 WeakPolarHBondContact O-CG 3.43Å; A177-L181 PolarHBondContact O-N 3.04Å; L178-L181 PolarHBondContact O-N 3.15Å; T179-L181 PolarHBondContact O-N 3.42Å; L181-Q184 PolarHBondContact O-N 2.99Å; L181-R185 WeakPolarHBondContact O-CB 3.4Å; L181-R185 PolarHBondContact O-N 3.06Å |
| 182 | Q | 98.3 | Very high | 98.1 | Very high | 94 Ų | 94 | 99.2 Ų | 99.2 | 44% | 0.439 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.2 | -39.1 | 176.7 | -176.2 | 62.9 | 10.3 | 0 | 0 | 112.2 | L178 T179 K180 R185 Q186 | L178-Q182 PolarHBondContact O-N 3Å; T179-Q182 WeakPolarHBondContact O-CB 3.38Å; T179-Q182 PolarHBondContact O-N 2.82Å; T179-Q182 VanDerWaalsContact O-N 3.11Å; K180-Q182 VanDerWaalsContact C-N 3.29Å; K180-Q182 PolarHBondContact O-N 2.77Å; Q182-R185 WeakPolarHBondContact O-CB 3.34Å; Q182-R185 PolarHBondContact O-N 2.86Å; Q182-Q186 WeakPolarHBondContact O-CG 3.26Å; Q182-Q186 PolarHBondContact O-N 3.31Å |
| 183 | E | 98 | Very high | 98.1 | Very high | 117 Ų | 117 | 102.7 Ų | 102.7 | 55% | 0.547 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.4 | -46.6 | 172.4 | -70.4 | 170.3 | 178.5 | 0 | 0 | 111.3 | T179 K180 R185 Q186 Y187 | T179-E183 WeakPolarHBondContact O-CG 3.45Å; T179-E183 PolarHBondContact O-N 2.7Å; K180-E183 PolarHBondContact O-N 3.32Å; E183-R185 VanDerWaalsContact C-N 3.31Å; E183-R185 PolarHBondContact O-N 2.75Å; E183-Q186 WeakPolarHBondContact O-CB 3.11Å; E183-Q186 PolarHBondContact O-N 2.82Å; E183-Q186 VanDerWaalsContact O-N 3.15Å; E183-Y187 PolarHBondContact O-N 2.95Å |
| 184 | Q | 98 | Very high | 98 | Very high | 100 Ų | 100 | 104.1 Ų | 104.1 | 47% | 0.467 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.3 | -40.5 | 175.8 | -72.1 | 178.4 | -38.6 | 0 | 0 | 112.1 | K180 L181 Q186 Y187 I188 | K180-Q184 WeakPolarHBondContact O-CG 3.34Å; K180-Q184 PolarHBondContact O-N 3.09Å; L181-Q184 PolarHBondContact O-N 2.99Å; Q184-Q186 VanDerWaalsContact C-N 3.34Å; Q184-Q186 PolarHBondContact O-N 3.28Å; Q184-Y187 WeakPolarHBondContact O-CB 3.32Å; Q184-Y187 PolarHBondContact O-N 3.42Å; Q184-I188 WeakPolarHBondContact O-CG1 3.33Å; Q184-I188 PolarHBondContact O-N 3.3Å |
| 185 | R | 98.4 | Very high | 97.9 | Very high | 169 Ų | 169 | 100.5 Ų | 100.5 | 64% | 0.638 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.1 | -43.8 | 174.3 | -179.2 | -179.4 | -179.4 | 141.7 | 3.6 | 111.9 | L181 Q182 E183 V189 | L181-R185 WeakPolarHBondContact O-CB 3.4Å; L181-R185 PolarHBondContact O-N 3.06Å; Q182-R185 WeakPolarHBondContact O-CB 3.34Å; Q182-R185 PolarHBondContact O-N 2.86Å; E183-R185 VanDerWaalsContact C-N 3.31Å; E183-R185 PolarHBondContact O-N 2.75Å; R185-V189 WeakPolarHBondContact O-CG2 3.4Å; R185-V189 PolarHBondContact O-N 3.44Å |
| 186 | Q | 98.2 | Very high | 97.8 | Very high | 121 Ų | 121 | 101 Ų | 101 | 57% | 0.565 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.7 | -41.5 | 177.6 | -72.6 | 175.9 | -6.9 | 0 | 0 | 111.6 | Q182 E183 Q184 V189 A190 | Q182-Q186 WeakPolarHBondContact O-CG 3.26Å; Q182-Q186 PolarHBondContact O-N 3.31Å; E183-Q186 WeakPolarHBondContact O-CB 3.11Å; E183-Q186 PolarHBondContact O-N 2.82Å; E183-Q186 VanDerWaalsContact O-N 3.15Å; Q184-Q186 VanDerWaalsContact C-N 3.34Å; Q184-Q186 PolarHBondContact O-N 3.28Å; Q186-V189 PolarHBondContact O-N 2.79Å; Q186-A190 WeakPolarHBondContact O-CB 3.36Å; Q186-A190 PolarHBondContact O-N 2.79Å |
| 187 | Y | 97.7 | Very high | 97.8 | Very high | 149 Ų | 149 | 103 Ų | 103 | 58% | 0.584 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -58.1 | -52.2 | 175.4 | -178.1 | -94.8 | 0 | 0 | 0 | 111.6 | E183 Q184 V189 A190 E191 | E183-Y187 PolarHBondContact O-N 2.95Å; Q184-Y187 WeakPolarHBondContact O-CB 3.32Å; Q184-Y187 PolarHBondContact O-N 3.42Å; Y187-V189 VanDerWaalsContact C-N 3.32Å; Y187-V189 PolarHBondContact O-N 3.48Å; Y187-A190 WeakPolarHBondContact O-CB 3.34Å; Y187-A190 PolarHBondContact O-N 3.29Å; Y187-A190 VanDerWaalsContact O-N 3.07Å; Y187-E191 HydrophobicContact CD1-CG 3.96Å; Y187-E191 HydrophobicContact CE1-CG 3.52Å; Y187-E191 HydrophobicContact CE2-CG 4.14Å; Y187-E191 HydrophobicContact CG-CG 4.43Å; Y187-E191 WeakPolarHBondContact O-CG 3.47Å; Y187-E191 PolarHBondContact O-N 3.36Å |
| 188 | I | 97.3 | Very high | 97.7 | Very high | 97 Ų | 97 | 106.4 Ų | 106.4 | 50% | 0.497 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -55 | -48.4 | 178.3 | -67.3 | 164.7 | 0 | 0 | 0 | 110.9 | Q184 A190 E191 F192 | Q184-I188 WeakPolarHBondContact O-CG1 3.33Å; Q184-I188 PolarHBondContact O-N 3.3Å; I188-A190 VanDerWaalsContact C-N 3.31Å; I188-A190 PolarHBondContact O-N 3.39Å; I188-E191 PolarHBondContact O-N 3.22Å; I188-F192 HydrophobicContact CG2-CD2 3.99Å; I188-F192 HydrophobicContact CG2-CE2 4.18Å; I188-F192 WeakPolarHBondContact O-CD2 3.43Å; I188-F192 PolarHBondContact O-N 3.29Å; I188-F192 VanDerWaalsContact O-N 3.13Å |
| 189 | V | 98.3 | Very high | 97.6 | Very high | 92 Ų | 92 | 105.2 Ų | 105.2 | 56% | 0.558 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.3 | -37.3 | -179.9 | 172.9 | 0 | 0 | 0 | 0 | 111.8 | R185 Q186 Y187 K193 | R185-V189 WeakPolarHBondContact O-CG2 3.4Å; R185-V189 PolarHBondContact O-N 3.44Å; Q186-V189 PolarHBondContact O-N 2.79Å; Y187-V189 VanDerWaalsContact C-N 3.32Å; Y187-V189 PolarHBondContact O-N 3.48Å; V189-K193 VanDerWaalsContact O-CB 3.26Å; V189-K193 WeakPolarHBondContact O-CB 3.47Å; V189-K193 PolarHBondContact O-N 3.09Å |
| 190 | A | 98.2 | Very high | 97.6 | Very high | 54 Ų | 54 | 108.8 Ų | 108.8 | 45% | 0.446 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.8 | -46.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q186 Y187 I188 K193 Q194 | Q186-A190 WeakPolarHBondContact O-CB 3.36Å; Q186-A190 PolarHBondContact O-N 2.79Å; Y187-A190 WeakPolarHBondContact O-CB 3.34Å; Y187-A190 PolarHBondContact O-N 3.29Å; Y187-A190 VanDerWaalsContact O-N 3.07Å; I188-A190 VanDerWaalsContact C-N 3.31Å; I188-A190 PolarHBondContact O-N 3.39Å; A190-K193 WeakPolarHBondContact O-CB 3.47Å; A190-K193 PolarHBondContact O-N 3.46Å; A190-Q194 PolarHBondContact O-N 2.92Å |
| 191 | E | 97.1 | Very high | 97.6 | Very high | 85 Ų | 85 | 109.4 Ų | 109.4 | 40% | 0.397 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -58 | -51 | 178.1 | -70.8 | -57.8 | 127.7 | 0 | 0 | 111.5 | Y187 I188 K193 Q194 G195 | Y187-E191 HydrophobicContact CD1-CG 3.96Å; Y187-E191 HydrophobicContact CE1-CG 3.52Å; Y187-E191 HydrophobicContact CE2-CG 4.14Å; Y187-E191 HydrophobicContact CG-CG 4.43Å; Y187-E191 WeakPolarHBondContact O-CG 3.47Å; Y187-E191 PolarHBondContact O-N 3.36Å; I188-E191 PolarHBondContact O-N 3.22Å; E191-K193 VanDerWaalsContact C-N 3.32Å; E191-K193 PolarHBondContact O-N 2.87Å; E191-Q194 PolarHBondContact O-N 3.45Å; E191-G195 PolarHBondContact O-N 3.04Å |
| 192 | F | 96.9 | Very high | 97.4 | Very high | 107 Ų | 107 | 110.1 Ų | 110.1 | 47% | 0.469 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65 | -35.4 | 178.2 | -85.9 | -85.3 | 0 | 0 | 0 | 112.5 | I188 Q194 G195 H196 | I188-F192 HydrophobicContact CG2-CD2 3.99Å; I188-F192 HydrophobicContact CG2-CE2 4.18Å; I188-F192 WeakPolarHBondContact O-CD2 3.43Å; I188-F192 PolarHBondContact O-N 3.29Å; I188-F192 VanDerWaalsContact O-N 3.13Å; F192-Q194 VanDerWaalsContact C-N 3.33Å; F192-Q194 PolarHBondContact O-N 3.34Å; F192-G195 PolarHBondContact O-N 3.36Å; F192-H196 WeakPolarHBondContact O-CB 3.5Å; F192-H196 PolarHBondContact O-N 3Å; F192-H196 PolarHBondContact O-ND1 2.84Å |
| 193 | K | 98.1 | Very high | 97.4 | Very high | 130 Ų | 130 | 111.5 Ų | 111.5 | 57% | 0.565 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.8 | -42.5 | 174.7 | -178.2 | -178.1 | 177.9 | -175.2 | 0 | 111.3 | V189 A190 E191 Q197 | V189-K193 VanDerWaalsContact O-CB 3.26Å; V189-K193 WeakPolarHBondContact O-CB 3.47Å; V189-K193 PolarHBondContact O-N 3.09Å; A190-K193 WeakPolarHBondContact O-CB 3.47Å; A190-K193 PolarHBondContact O-N 3.46Å; E191-K193 VanDerWaalsContact C-N 3.32Å; E191-K193 PolarHBondContact O-N 2.87Å; K193-Q197 WeakPolarHBondContact O-CB 3.31Å; K193-Q197 VanDerWaalsContact O-CG 3.25Å; K193-Q197 WeakPolarHBondContact O-CG 3.36Å; K193-Q197 PolarHBondContact O-N 3Å |
| 194 | Q | 97.3 | Very high | 97.3 | Very high | 126 Ų | 126 | 110.9 Ų | 110.9 | 59% | 0.589 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.1 | -46.2 | 176.2 | -176.8 | 175.6 | 0.9 | 0 | 0 | 111.3 | A190 E191 F192 Q197 F198 | A190-Q194 PolarHBondContact O-N 2.92Å; E191-Q194 PolarHBondContact O-N 3.45Å; F192-Q194 VanDerWaalsContact C-N 3.33Å; F192-Q194 PolarHBondContact O-N 3.34Å; Q194-Q197 PolarHBondContact O-N 2.8Å; Q194-F198 PolarHBondContact O-N 3.43Å |
| 195 | G | 95.8 | Very high | 97.3 | Very high | 32 Ų | 32 | 110 Ų | 110 | 33% | 0.33 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -57.9 | -49.9 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | E191 F192 Q197 F198 L199 | E191-G195 PolarHBondContact O-N 3.04Å; F192-G195 PolarHBondContact O-N 3.36Å; G195-Q197 VanDerWaalsContact C-N 3.33Å; G195-Q197 PolarHBondContact O-N 3.11Å; G195-F198 WeakPolarHBondContact O-CB 3.31Å; G195-F198 PolarHBondContact O-N 3.36Å; G195-L199 WeakPolarHBondContact O-CG 3.3Å; G195-L199 PolarHBondContact O-N 3.48Å |
| 196 | H | 97 | Very high | 97.2 | Very high | 122 Ų | 122 | 103.3 Ų | 103.3 | 57% | 0.565 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -59.9 | -41.2 | 176.5 | -67 | 139.4 | 0 | 0 | 0 | 112.6 | F192 K200 | F192-H196 WeakPolarHBondContact O-CB 3.5Å; F192-H196 PolarHBondContact O-N 3Å; F192-H196 PolarHBondContact O-ND1 2.84Å; H196-K200 VanDerWaalsContact O-CB 3.26Å; H196-K200 WeakPolarHBondContact O-CB 3.16Å; H196-K200 PolarHBondContact O-N 2.96Å |
| 197 | Q | 97.9 | Very high | 97.2 | Very high | 101 Ų | 101 | 101.9 Ų | 101.9 | 47% | 0.472 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.2 | -40.1 | 177.1 | -75.8 | 178.5 | -0.5 | 0 | 0 | 112.1 | K193 Q194 G195 K201 | K193-Q197 WeakPolarHBondContact O-CB 3.31Å; K193-Q197 VanDerWaalsContact O-CG 3.25Å; K193-Q197 WeakPolarHBondContact O-CG 3.36Å; K193-Q197 PolarHBondContact O-N 3Å; Q194-Q197 PolarHBondContact O-N 2.8Å; G195-Q197 VanDerWaalsContact C-N 3.33Å; G195-Q197 PolarHBondContact O-N 3.11Å; Q197-K201 VanDerWaalsContact O-CG 3.31Å; Q197-K201 WeakPolarHBondContact O-CG 3.33Å; Q197-K201 PolarHBondContact O-N 3.28Å; Q197-K201 VanDerWaalsContact O-N 3.13Å |
| 198 | F | 96.9 | Very high | 97.1 | Very high | 126 Ų | 126 | 98.6 Ų | 98.6 | 55% | 0.553 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -61.7 | -53.1 | 175 | 172.1 | -96.7 | 0 | 0 | 0 | 111 | Q194 G195 K200 K201 R202 | Q194-F198 PolarHBondContact O-N 3.43Å; G195-F198 WeakPolarHBondContact O-CB 3.31Å; G195-F198 PolarHBondContact O-N 3.36Å; F198-K200 PolarHBondContact O-N 3Å; F198-K201 PolarHBondContact O-N 3.49Å; F198-K201 VanDerWaalsContact O-N 3.16Å; F198-R202 HydrophobicContact CD1-CG 4.37Å; F198-R202 HydrophobicContact CD2-CG 4.42Å; F198-R202 HydrophobicContact CE1-CG 3.94Å; F198-R202 HydrophobicContact CE2-CG 4Å; F198-R202 HydrophobicContact CZ-CG 3.74Å; F198-R202 WeakPolarHBondContact O-CG 2.95Å; F198-R202 PolarHBondContact O-N 3.31Å |
| 199 | L | 96 | Very high | 97 | Very high | 76 Ų | 76 | 96.1 Ų | 96.1 | 40% | 0.398 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -59.5 | -45.8 | -179.3 | -69.1 | 177.2 | 0 | 0 | 0 | 111.6 | G195 K201 R202 E203 L303 | G195-L199 WeakPolarHBondContact O-CG 3.3Å; G195-L199 PolarHBondContact O-N 3.48Å; L199-K201 VanDerWaalsContact C-N 3.32Å; L199-K201 PolarHBondContact O-N 3.41Å; L199-R202 PolarHBondContact O-N 3.08Å; L199-R202 VanDerWaalsContact O-N 3.12Å; L199-E203 WeakPolarHBondContact O-CB 3.45Å; L199-E203 PolarHBondContact O-N 3.18Å; L199-L303 HydrophobicContact CD2-CD2 4.04Å |
| 200 | K | 97.7 | Very high | 96.9 | Very high | 154 Ų | 154 | 94.9 Ų | 94.9 | 67% | 0.67 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -59.2 | -39.9 | 176.8 | -174.2 | 175.3 | -176.5 | 175 | 0 | 113 | H196 F198 Q204 | H196-K200 VanDerWaalsContact O-CB 3.26Å; H196-K200 WeakPolarHBondContact O-CB 3.16Å; H196-K200 PolarHBondContact O-N 2.96Å; F198-K200 PolarHBondContact O-N 3Å; K200-Q204 PolarHBondContact O-N 3.41Å; K200-Q204 VanDerWaalsContact O-N 3.12Å |
| 201 | K | 97.7 | Very high | 96.9 | Very high | 144 Ų | 144 | 94.6 Ų | 94.6 | 63% | 0.626 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -68.6 | -36.1 | 176.6 | -75.4 | 177.9 | -178.3 | -178 | 0 | 112.2 | Q197 F198 L199 H205 | Q197-K201 VanDerWaalsContact O-CG 3.31Å; Q197-K201 WeakPolarHBondContact O-CG 3.33Å; Q197-K201 PolarHBondContact O-N 3.28Å; Q197-K201 VanDerWaalsContact O-N 3.13Å; F198-K201 PolarHBondContact O-N 3.49Å; F198-K201 VanDerWaalsContact O-N 3.16Å; L199-K201 VanDerWaalsContact C-N 3.32Å; L199-K201 PolarHBondContact O-N 3.41Å; K201-H205 WeakPolarHBondContact O-CB 3.26Å; K201-H205 PolarHBondContact O-N 3.24Å; K201-H205 VanDerWaalsContact O-N 3.17Å |
| 202 | R | 95.3 | Very high | 96.8 | Very high | 116 Ų | 116 | 94.2 Ų | 94.2 | 44% | 0.438 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -72.4 | -41.7 | 177.3 | -67.3 | -62.4 | 86.5 | 178 | 0.4 | 111.6 | F198 L199 H205 L206 | F198-R202 HydrophobicContact CD1-CG 4.37Å; F198-R202 HydrophobicContact CD2-CG 4.42Å; F198-R202 HydrophobicContact CE1-CG 3.94Å; F198-R202 HydrophobicContact CE2-CG 4Å; F198-R202 HydrophobicContact CZ-CG 3.74Å; F198-R202 WeakPolarHBondContact O-CG 2.95Å; F198-R202 PolarHBondContact O-N 3.31Å; L199-R202 PolarHBondContact O-N 3.08Å; L199-R202 VanDerWaalsContact O-N 3.12Å; R202-H205 PolarHBondContact O-N 2.8Å; R202-L206 WeakPolarHBondContact O-CG 3.41Å; R202-L206 PolarHBondContact O-N 2.8Å |
| 203 | E | 96.8 | Very high | 96.7 | Very high | 124 Ų | 124 | 90.1 Ų | 90.1 | 58% | 0.579 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -54.4 | -53.9 | 172.6 | -179 | -176.2 | -172.9 | 0 | 0 | 110.9 | L199 H205 L206 L207 | L199-E203 WeakPolarHBondContact O-CB 3.45Å; L199-E203 PolarHBondContact O-N 3.18Å; E203-H205 VanDerWaalsContact C-N 3.32Å; E203-H205 PolarHBondContact O-N 3.42Å; E203-L206 PolarHBondContact O-N 2.96Å; E203-L207 HydrophobicContact CG-CD1 4.27Å; E203-L207 WeakPolarHBondContact O-CG 3.35Å; E203-L207 PolarHBondContact O-N 3.3Å |
| 204 | Q | 97.8 | Very high | 96.6 | Very high | 103 Ų | 103 | 89.3 Ų | 89.3 | 48% | 0.481 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -59.2 | -42.5 | 177.9 | -171.7 | 63 | 53.9 | 0 | 0 | 112.3 | K200 L206 L207 D208 | K200-Q204 PolarHBondContact O-N 3.41Å; K200-Q204 VanDerWaalsContact O-N 3.12Å; Q204-L206 VanDerWaalsContact C-N 3.3Å; Q204-L206 PolarHBondContact O-N 2.78Å; Q204-L207 PolarHBondContact O-N 2.79Å; Q204-D208 PolarHBondContact NE2-OD1 3.05Å; Q204-D208 PolarHBondContact O-N 2.84Å |
| 205 | H | 96.6 | Very high | 96.6 | Very high | 81 Ų | 81 | 88.7 Ų | 88.7 | 38% | 0.375 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62.5 | -34.6 | 179.6 | 176.4 | 58.7 | 0 | 0 | 0 | 113.6 | K201 R202 E203 Q209 | K201-H205 WeakPolarHBondContact O-CB 3.26Å; K201-H205 PolarHBondContact O-N 3.24Å; K201-H205 VanDerWaalsContact O-N 3.17Å; R202-H205 PolarHBondContact O-N 2.8Å; E203-H205 VanDerWaalsContact C-N 3.32Å; E203-H205 PolarHBondContact O-N 3.42Å; H205-Q209 PolarHBondContact CD2-NE2 2.87Å; H205-Q209 VanDerWaalsContact CD2-NE2 3.29Å; H205-Q209 PolarHBondContact CE1-NE2 2.7Å; H205-Q209 PolarHBondContact NE2-NE2 2.71Å; H205-Q209 PolarHBondContact O-N 2.83Å; H205-Q209 PolarHBondContact O-NE2 2.84Å |
| 206 | L | 96.5 | Very high | 96.5 | Very high | 29 Ų | 29 | 89.6 Ų | 89.6 | 15% | 0.152 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -74 | -39.5 | 175.3 | -69.5 | 169 | 0 | 0 | 0 | 111.4 | R202 E203 Q204 D208 Q209 L210 F292 L299 | R202-L206 WeakPolarHBondContact O-CG 3.41Å; R202-L206 PolarHBondContact O-N 2.8Å; E203-L206 PolarHBondContact O-N 2.96Å; Q204-L206 VanDerWaalsContact C-N 3.3Å; Q204-L206 PolarHBondContact O-N 2.78Å; L206-D208 VanDerWaalsContact C-N 3.33Å; L206-D208 PolarHBondContact O-N 2.94Å; L206-Q209 PolarHBondContact O-N 3.41Å; L206-L210 PolarHBondContact O-N 2.76Å; L206-F292 HydrophobicContact CD2-CE2 4.14Å; L206-F292 WeakPolarHBondContact O-CE2 3.45Å; L206-F292 WeakPolarHBondContact O-CZ 3.09Å; L206-L299 HydrophobicContact CD1-CD2 3.61Å |
| 207 | L | 97.4 | Very high | 96.3 | Very high | 91 Ų | 91 | 87.4 Ų | 87.4 | 48% | 0.476 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62.1 | -40.5 | 173.7 | -67.8 | 172.7 | 0 | 0 | 0 | 111.8 | E203 Q204 Q209 L210 A211 | E203-L207 HydrophobicContact CG-CD1 4.27Å; E203-L207 WeakPolarHBondContact O-CG 3.35Å; E203-L207 PolarHBondContact O-N 3.3Å; Q204-L207 PolarHBondContact O-N 2.79Å; L207-Q209 PolarHBondContact O-N 2.92Å; L207-L210 PolarHBondContact O-N 3.44Å; L207-A211 WeakPolarHBondContact O-CB 3.23Å; L207-A211 PolarHBondContact O-N 2.82Å |
| 208 | D | 97.4 | Very high | 96.2 | Very high | 81 Ų | 81 | 86.6 Ų | 86.6 | 43% | 0.433 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -65.3 | -38 | 177 | -63.4 | -20.2 | 0 | 0 | 0 | 111.9 | Q204 L206 T212 | Q204-D208 PolarHBondContact NE2-OD1 3.05Å; Q204-D208 PolarHBondContact O-N 2.84Å; L206-D208 VanDerWaalsContact C-N 3.33Å; L206-D208 PolarHBondContact O-N 2.94Å; D208-T212 PolarHBondContact O-N 2.8Å; D208-T212 VanDerWaalsContact O-N 3.09Å; D208-T212 PolarHBondContact O-OG1 3.47Å |
| 209 | Q | 95.4 | Very high | 96 | Very high | 45 Ų | 45 | 84.6 Ų | 84.6 | 21% | 0.21 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -64 | -43.6 | 173 | -83.3 | 174.7 | 78.8 | 0 | 0 | 111.6 | H205 L206 L207 T212 L213 F292 | H205-Q209 PolarHBondContact CD2-NE2 2.87Å; H205-Q209 VanDerWaalsContact CD2-NE2 3.29Å; H205-Q209 PolarHBondContact CE1-NE2 2.7Å; H205-Q209 PolarHBondContact NE2-NE2 2.71Å; H205-Q209 PolarHBondContact O-N 2.83Å; H205-Q209 PolarHBondContact O-NE2 2.84Å; L206-Q209 PolarHBondContact O-N 3.41Å; L207-Q209 PolarHBondContact O-N 2.92Å; Q209-T212 WeakPolarHBondContact O-CB 3.43Å; Q209-T212 PolarHBondContact O-N 2.86Å; Q209-L213 PolarHBondContact O-N 2.97Å; Q209-L213 VanDerWaalsContact O-N 3.14Å; Q209-F292 HydrophobicContact CB-CD2 4.12Å; Q209-F292 HydrophobicContact CB-CE2 3.75Å |
| 210 | L | 95.6 | Very high | 95.7 | Very high | 66 Ų | 66 | 81.9 Ų | 81.9 | 35% | 0.346 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64 | -44 | 177.7 | -171.5 | 61.9 | 0 | 0 | 0 | 111.4 | L206 L207 T212 L213 E214 F292 | L206-L210 PolarHBondContact O-N 2.76Å; L207-L210 PolarHBondContact O-N 3.44Å; L210-T212 PolarHBondContact O-N 3.08Å; L210-L213 WeakPolarHBondContact O-CB 2.87Å; L210-L213 PolarHBondContact O-N 2.79Å; L210-E214 WeakPolarHBondContact O-CG 3.46Å; L210-E214 PolarHBondContact O-N 2.77Å; L210-F292 HydrophobicContact CB-CE1 4.27Å; L210-F292 HydrophobicContact CB-CZ 3.91Å; L210-F292 HydrophobicContact CD1-CD1 4.29Å; L210-F292 HydrophobicContact CD1-CE1 3.83Å; L210-F292 HydrophobicContact CD1-CZ 4.33Å; L210-F292 HydrophobicContact CG-CE1 4.47Å |
| 211 | A | 97.3 | Very high | 95.5 | Very high | 48 Ų | 48 | 83.1 Ų | 83.1 | 40% | 0.397 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -59.3 | -35 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L207 E214 Q215 | L207-A211 WeakPolarHBondContact O-CB 3.23Å; L207-A211 PolarHBondContact O-N 2.82Å; A211-E214 PolarHBondContact O-N 2.63Å; A211-Q215 WeakPolarHBondContact O-CB 3.32Å; A211-Q215 PolarHBondContact O-N 3.19Å |
| 212 | T | 96 | Very high | 95.2 | Very high | 77 Ų | 77 | 80.7 Ų | 80.7 | 47% | 0.472 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.6 | -42.2 | 174.6 | -55.9 | 0 | 0 | 0 | 0 | 111.4 | D208 Q209 L210 Q215 L216 | D208-T212 PolarHBondContact O-N 2.8Å; D208-T212 VanDerWaalsContact O-N 3.09Å; D208-T212 PolarHBondContact O-OG1 3.47Å; Q209-T212 WeakPolarHBondContact O-CB 3.43Å; Q209-T212 PolarHBondContact O-N 2.86Å; L210-T212 PolarHBondContact O-N 3.08Å; T212-Q215 PolarHBondContact O-N 3.27Å; T212-L216 WeakPolarHBondContact O-CG 3.25Å; T212-L216 PolarHBondContact O-N 2.77Å |
| 213 | L | 95.2 | Very high | 95 | Very high | 20 Ų | 20 | 82.1 Ų | 82.1 | 11% | 0.105 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -65.2 | -42.1 | 175.1 | -69.7 | 173.9 | 0 | 0 | 0 | 112 | Q209 L210 Q215 L216 L217 K288 F292 | Q209-L213 PolarHBondContact O-N 2.97Å; Q209-L213 VanDerWaalsContact O-N 3.14Å; L210-L213 WeakPolarHBondContact O-CB 2.87Å; L210-L213 PolarHBondContact O-N 2.79Å; L213-Q215 VanDerWaalsContact C-N 3.32Å; L213-Q215 PolarHBondContact O-N 2.83Å; L213-L216 PolarHBondContact O-N 3.34Å; L213-L217 WeakPolarHBondContact O-CG 3.27Å; L213-L217 PolarHBondContact O-N 3.24Å; L213-K288 HydrophobicContact CD2-CB 3.66Å; L213-K288 HydrophobicContact CD2-CD 4.4Å; L213-F292 HydrophobicContact CD1-CB 4.02Å; L213-F292 HydrophobicContact CD1-CG 4.19Å |
| 214 | E | 96 | Very high | 94.6 | Very high | 114 Ų | 114 | 79.6 Ų | 79.6 | 53% | 0.533 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.3 | -41.6 | 174.7 | -71.3 | 178.9 | 160.8 | 0 | 0 | 111.9 | L210 A211 L217 T218 | L210-E214 WeakPolarHBondContact O-CG 3.46Å; L210-E214 PolarHBondContact O-N 2.77Å; A211-E214 PolarHBondContact O-N 2.63Å; E214-L217 PolarHBondContact O-N 3.01Å; E214-T218 WeakPolarHBondContact O-CB 3.49Å; E214-T218 PolarHBondContact O-N 3.07Å; E214-T218 PolarHBondContact O-OG1 2.71Å |
| 215 | Q | 95.8 | Very high | 94.3 | Very high | 113 Ų | 113 | 80.7 Ų | 80.7 | 53% | 0.528 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.5 | -47.2 | 176 | -177.1 | 177.1 | -8.6 | 0 | 0 | 111.5 | A211 T212 L213 L217 T218 E219 | A211-Q215 WeakPolarHBondContact O-CB 3.32Å; A211-Q215 PolarHBondContact O-N 3.19Å; T212-Q215 PolarHBondContact O-N 3.27Å; L213-Q215 VanDerWaalsContact C-N 3.32Å; L213-Q215 PolarHBondContact O-N 2.83Å; Q215-L217 VanDerWaalsContact C-N 3.3Å; Q215-L217 PolarHBondContact O-N 3.44Å; Q215-T218 PolarHBondContact O-N 3.5Å; Q215-T218 VanDerWaalsContact O-N 3.13Å; Q215-E219 HydrophobicContact CG-CG 4.41Å; Q215-E219 WeakPolarHBondContact CG-OE1 3.37Å; Q215-E219 PolarHBondContact NE2-OE1 2.93Å; Q215-E219 WeakPolarHBondContact O-CG 3.45Å; Q215-E219 PolarHBondContact O-N 3.45Å |
| 216 | L | 93.9 | Very high | 94.1 | Very high | 51 Ų | 51 | 80.7 Ų | 80.7 | 27% | 0.267 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -59.1 | -40.9 | 177.1 | -73.2 | 173.2 | 0 | 0 | 0 | 112.1 | T212 L213 G220 V285 | T212-L216 WeakPolarHBondContact O-CG 3.25Å; T212-L216 PolarHBondContact O-N 2.77Å; L213-L216 PolarHBondContact O-N 3.34Å; L216-G220 PolarHBondContact O-N 3.38Å; L216-V285 HydrophobicContact CB-CG2 4.36Å |
| 217 | L | 93.7 | Very high | 93.8 | Very high | 76 Ų | 76 | 86.1 Ų | 86.1 | 40% | 0.398 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -66.3 | -40.2 | 175.2 | -75.6 | 170.3 | 0 | 0 | 0 | 112.2 | L213 E214 Q215 G220 R221 I281 V285 | L213-L217 WeakPolarHBondContact O-CG 3.27Å; L213-L217 PolarHBondContact O-N 3.24Å; E214-L217 PolarHBondContact O-N 3.01Å; Q215-L217 VanDerWaalsContact C-N 3.3Å; Q215-L217 PolarHBondContact O-N 3.44Å; L217-G220 PolarHBondContact O-N 3.07Å; L217-R221 VanDerWaalsContact O-CB 3.29Å; L217-R221 WeakPolarHBondContact O-CB 3.49Å; L217-R221 PolarHBondContact O-N 2.86Å; L217-I281 HydrophobicContact CD2-CD1 4.4Å; L217-I281 HydrophobicContact CD2-CG1 4.24Å; L217-I281 HydrophobicContact CD2-CG2 3.91Å; L217-V285 HydrophobicContact CD2-CG1 3.63Å; L217-V285 HydrophobicContact CG-CG1 3.83Å |
| 218 | T | 94.7 | Very high | 93.3 | Very high | 84 Ų | 84 | 82.6 Ų | 82.6 | 52% | 0.515 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -66.4 | -45.9 | 179.1 | -57.5 | 0 | 0 | 0 | 0 | 111.3 | E214 Q215 R221 E222 | E214-T218 WeakPolarHBondContact O-CB 3.49Å; E214-T218 PolarHBondContact O-N 3.07Å; E214-T218 PolarHBondContact O-OG1 2.71Å; Q215-T218 PolarHBondContact O-N 3.5Å; Q215-T218 VanDerWaalsContact O-N 3.13Å; T218-R221 WeakPolarHBondContact O-CB 3.32Å; T218-R221 PolarHBondContact O-N 3.21Å; T218-E222 PolarHBondContact O-N 3.46Å; T218-E222 VanDerWaalsContact O-N 3.16Å |
| 219 | E | 92.6 | Very high | 93.1 | Very high | 83 Ų | 83 | 82.2 Ų | 82.2 | 39% | 0.388 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64.3 | -42.5 | 174.9 | -69.7 | 176.9 | -169.1 | 0 | 0 | 111.7 | Q215 R221 E222 K223 | Q215-E219 HydrophobicContact CG-CG 4.41Å; Q215-E219 WeakPolarHBondContact CG-OE1 3.37Å; Q215-E219 PolarHBondContact NE2-OE1 2.93Å; Q215-E219 WeakPolarHBondContact O-CG 3.45Å; Q215-E219 PolarHBondContact O-N 3.45Å; E219-R221 VanDerWaalsContact C-N 3.33Å; E219-R221 PolarHBondContact O-N 3.1Å; E219-E222 PolarHBondContact O-N 2.97Å; E219-K223 WeakPolarHBondContact O-CG 3.34Å; E219-K223 PolarHBondContact O-N 2.9Å; E219-K223 VanDerWaalsContact O-N 3.1Å |
| 220 | G | 91.1 | Very high | 92.8 | Very high | 19 Ų | 19 | 83.6 Ų | 83.6 | 20% | 0.196 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -59.8 | -41.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L216 L217 K223 F224 | L216-G220 PolarHBondContact O-N 3.38Å; L217-G220 PolarHBondContact O-N 3.07Å; G220-K223 PolarHBondContact O-N 3.47Å; G220-F224 VanDerWaalsContact O-CB 3.3Å; G220-F224 WeakPolarHBondContact O-CB 3.47Å; G220-F224 PolarHBondContact O-N 3.42Å |
| 221 | R | 92.7 | Very high | 92.4 | Very high | 181 Ų | 181 | 82.9 Ų | 82.9 | 68% | 0.683 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -61.7 | -45.5 | 176.8 | -179 | -174.8 | -178.7 | -167.7 | 1.4 | 112.4 | L217 T218 E219 F224 K225 | L217-R221 VanDerWaalsContact O-CB 3.29Å; L217-R221 WeakPolarHBondContact O-CB 3.49Å; L217-R221 PolarHBondContact O-N 2.86Å; T218-R221 WeakPolarHBondContact O-CB 3.32Å; T218-R221 PolarHBondContact O-N 3.21Å; E219-R221 VanDerWaalsContact C-N 3.33Å; E219-R221 PolarHBondContact O-N 3.1Å; R221-F224 PolarHBondContact O-N 3.44Å; R221-K225 WeakPolarHBondContact O-CB 3.31Å; R221-K225 PolarHBondContact O-N 3.47Å |
| 222 | E | 92.2 | Very high | 92 | Very high | 93 Ų | 93 | 85.9 Ų | 85.9 | 44% | 0.435 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -66.3 | -39.7 | 178.5 | -69.3 | -55.1 | 135.8 | 0 | 0 | 111.7 | T218 E219 K225 T226 | T218-E222 PolarHBondContact O-N 3.46Å; T218-E222 VanDerWaalsContact O-N 3.16Å; E219-E222 PolarHBondContact O-N 2.97Å; E222-K225 PolarHBondContact O-N 3.27Å; E222-T226 WeakPolarHBondContact O-CB 3.44Å; E222-T226 WeakPolarHBondContact O-CG2 3.49Å; E222-T226 PolarHBondContact O-N 3.28Å; E222-T226 PolarHBondContact O-OG1 3.01Å |
| 223 | K | 89.9 | Confident | 91.8 | Very high | 146 Ų | 146 | 87.1 Ų | 87.1 | 64% | 0.635 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -62.7 | -43.3 | 172.7 | -71 | 175.8 | -176.2 | 174.6 | 0 | 112.1 | E219 G220 T226 R227 | E219-K223 WeakPolarHBondContact O-CG 3.34Å; E219-K223 PolarHBondContact O-N 2.9Å; E219-K223 VanDerWaalsContact O-N 3.1Å; G220-K223 PolarHBondContact O-N 3.47Å; K223-T226 WeakPolarHBondContact CA-OG1 3.27Å; K223-T226 PolarHBondContact O-OG1 3.4Å; K223-R227 WeakPolarHBondContact O-CB 3.38Å; K223-R227 PolarHBondContact O-N 3.22Å |
| 224 | F | 89.8 | Confident | 91.4 | Very high | 70 Ų | 70 | 90.5 Ų | 90.5 | 31% | 0.307 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62.4 | -46.8 | 177.7 | -172.5 | -86.2 | 0 | 0 | 0 | 111.2 | G220 R221 R227 G228 W276 G278 A280 | G220-F224 VanDerWaalsContact O-CB 3.3Å; G220-F224 WeakPolarHBondContact O-CB 3.47Å; G220-F224 PolarHBondContact O-N 3.42Å; R221-F224 PolarHBondContact O-N 3.44Å; F224-R227 PolarHBondContact O-N 2.95Å; F224-G228 PolarHBondContact O-N 3.23Å; F224-W276 HydrophobicContact CB-CH2 4.48Å; F224-W276 AromaticContact CD1-CH2 3.91Å; F224-W276 HydrophobicContact CD1-CH2 3.91Å; F224-W276 HydrophobicContact CD1-CZ3 4.41Å; F224-W276 AromaticContact CD2-CH2 3.2Å; F224-W276 HydrophobicContact CD2-CH2 3.2Å; F224-W276 AromaticContact CD2-CZ2 3.65Å; F224-W276 HydrophobicContact CD2-CZ2 3.65Å; F224-W276 HydrophobicContact CD2-CZ3 4.26Å; F224-W276 AromaticContact CE1-CH2 3.8Å; F224-W276 HydrophobicContact CE1-CH2 3.8Å; F224-W276 AromaticContact CE1-CZ3 3.97Å; F224-W276 HydrophobicContact CE1-CZ3 3.97Å; F224-W276 AromaticContact CE2-CH2 3.06Å; F224-W276 HydrophobicContact CE2-CH2 3.06Å; F224-W276 AromaticContact CE2-CZ2 3.6Å; F224-W276 HydrophobicContact CE2-CZ2 3.6Å; F224-W276 AromaticContact CE2-CZ3 3.78Å; F224-W276 HydrophobicContact CE2-CZ3 3.78Å; F224-W276 AromaticContact CG-CH2 3.62Å; F224-W276 HydrophobicContact CG-CH2 3.62Å; F224-W276 HydrophobicContact CG-CZ2 4.38Å; F224-W276 AromaticContact CZ-CH2 3.38Å; F224-W276 HydrophobicContact CZ-CH2 3.38Å; F224-W276 HydrophobicContact CZ-CZ2 4.31Å; F224-W276 AromaticContact CZ-CZ3 3.62Å; F224-W276 HydrophobicContact CZ-CZ3 3.62Å; F224-G278 WeakPolarHBondContact CE2-O 3.5Å; F224-A280 HydrophobicContact CD2-CB 4.33Å; F224-A280 HydrophobicContact CE2-CB 4.03Å; F224-A280 HydrophobicContact CZ-CB 4.22Å |
| 225 | K | 91.4 | Very high | 91 | Very high | 127 Ų | 127 | 86.6 Ų | 86.6 | 55% | 0.552 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -61.9 | -48.3 | 177.9 | -177.5 | -175.6 | 175.8 | -169.9 | 0 | 112.1 | R221 E222 G228 V229 | R221-K225 WeakPolarHBondContact O-CB 3.31Å; R221-K225 PolarHBondContact O-N 3.47Å; E222-K225 PolarHBondContact O-N 3.27Å; K225-G228 PolarHBondContact O-N 3.5Å; K225-V229 WeakPolarHBondContact O-CG2 3.49Å; K225-V229 PolarHBondContact O-N 2.82Å |
| 226 | T | 91.8 | Very high | 90.8 | Very high | 81 Ų | 81 | 85 Ų | 85 | 50% | 0.497 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62.3 | -43.9 | 179.5 | 46.1 | 0 | 0 | 0 | 0 | 111.8 | E222 K223 G228 V229 S230 | E222-T226 WeakPolarHBondContact O-CB 3.44Å; E222-T226 WeakPolarHBondContact O-CG2 3.49Å; E222-T226 PolarHBondContact O-N 3.28Å; E222-T226 PolarHBondContact O-OG1 3.01Å; K223-T226 WeakPolarHBondContact CA-OG1 3.27Å; K223-T226 PolarHBondContact O-OG1 3.4Å; T226-G228 PolarHBondContact O-N 2.79Å; T226-V229 PolarHBondContact O-N 3.39Å; T226-S230 PolarHBondContact O-N 2.94Å; T226-S230 PolarHBondContact O-OG 2.93Å |
| 227 | R | 88.8 | Confident | 90.6 | Very high | 143 Ų | 143 | 87.8 Ų | 87.8 | 54% | 0.54 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -61.8 | -43.2 | 174.9 | -170.9 | 168.8 | -176.5 | -171.4 | -0.2 | 112.4 | K223 F224 S230 E231 W276 | K223-R227 WeakPolarHBondContact O-CB 3.38Å; K223-R227 PolarHBondContact O-N 3.22Å; F224-R227 PolarHBondContact O-N 2.95Å; R227-S230 PolarHBondContact O-N 3.2Å; R227-E231 PolarHBondContact O-N 3.21Å; R227-W276 HydrophobicContact CB-CH2 4.42Å; R227-W276 HydrophobicContact CB-CZ2 4.31Å; R227-W276 HydrophobicContact CG-CD2 4.25Å; R227-W276 HydrophobicContact CG-CZ2 4.12Å; R227-W276 VanDerWaalsContact NE-CD1 3.31Å; R227-W276 VanDerWaalsContact NH1-NE1 3.19Å |
| 228 | G | 88.8 | Confident | 90.3 | Very high | 17 Ų | 17 | 86 Ų | 86 | 18% | 0.175 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -60.3 | -44.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | F224 K225 T226 E231 L232 | F224-G228 PolarHBondContact O-N 3.23Å; K225-G228 PolarHBondContact O-N 3.5Å; T226-G228 PolarHBondContact O-N 2.79Å; G228-E231 PolarHBondContact O-N 2.92Å; G228-L232 VanDerWaalsContact O-CG 3.31Å; G228-L232 WeakPolarHBondContact O-CG 3.4Å; G228-L232 PolarHBondContact O-N 3.04Å |
| 229 | V | 91.7 | Very high | 90 | Very high | 72 Ų | 72 | 86.1 Ų | 86.1 | 44% | 0.436 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -61.1 | -47 | 175.4 | 172.1 | 0 | 0 | 0 | 0 | 111.1 | K225 T226 E231 L232 D233 | K225-V229 WeakPolarHBondContact O-CG2 3.49Å; K225-V229 PolarHBondContact O-N 2.82Å; T226-V229 PolarHBondContact O-N 3.39Å; V229-E231 VanDerWaalsContact C-N 3.34Å; V229-E231 PolarHBondContact O-N 3.07Å; V229-L232 PolarHBondContact O-N 2.77Å; V229-D233 PolarHBondContact O-N 3.07Å |
| 230 | S | 89.4 | Confident | 89.9 | Confident | 74 Ų | 74 | 85.3 Ų | 85.3 | 52% | 0.517 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.2 | -37.9 | 178.7 | -60.4 | 0 | 0 | 0 | 0 | 113.4 | T226 R227 R234 | T226-S230 PolarHBondContact O-N 2.94Å; T226-S230 PolarHBondContact O-OG 2.93Å; R227-S230 PolarHBondContact O-N 3.2Å; S230-R234 WeakPolarHBondContact O-CB 3.43Å; S230-R234 PolarHBondContact O-N 2.7Å |
| 231 | E | 86.8 | Confident | 89.7 | Confident | 52 Ų | 52 | 88.6 Ų | 88.6 | 24% | 0.243 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -70 | -38.8 | 175.2 | -75 | -61.8 | 138.2 | 0 | 0 | 112.2 | R227 G228 V229 R234 L235 W276 | R227-E231 PolarHBondContact O-N 3.21Å; G228-E231 PolarHBondContact O-N 2.92Å; V229-E231 VanDerWaalsContact C-N 3.34Å; V229-E231 PolarHBondContact O-N 3.07Å; E231-R234 PolarHBondContact O-N 2.77Å; E231-R234 IonicContact OE1-NE 2.75Å; E231-R234 IonicContact OE2-CZ 3.77Å; E231-R234 VanDerWaalsContact OE2-CZ 3.28Å; E231-R234 IonicContact OE2-NE 2.79Å; E231-R234 PolarHBondContact OE2-NE 2.88Å; E231-R234 IonicContact OE2-NH2 3.28Å; E231-R234 PolarHBondContact OE2-NH2 2.97Å; E231-L235 WeakPolarHBondContact O-CD1 3.42Å; E231-L235 VanDerWaalsContact O-CG 3.23Å; E231-L235 WeakPolarHBondContact O-CG 3.29Å; E231-L235 PolarHBondContact O-N 2.92Å; E231-W276 HydrophobicContact CG-CB 3.81Å; E231-W276 HydrophobicContact CG-CG 4.43Å |
| 232 | L | 89.5 | Confident | 89.4 | Confident | 110 Ų | 110 | 82.9 Ų | 82.9 | 58% | 0.576 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -60.9 | -47.7 | 172.6 | -72.8 | 172.8 | 0 | 0 | 0 | 111.1 | G228 V229 R234 L235 T236 | G228-L232 VanDerWaalsContact O-CG 3.31Å; G228-L232 WeakPolarHBondContact O-CG 3.4Å; G228-L232 PolarHBondContact O-N 3.04Å; V229-L232 PolarHBondContact O-N 2.77Å; L232-R234 VanDerWaalsContact C-N 3.3Å; L232-R234 PolarHBondContact O-N 3.24Å; L232-L235 PolarHBondContact O-N 2.77Å; L232-L235 VanDerWaalsContact O-N 3.12Å; L232-T236 WeakPolarHBondContact O-CB 3.44Å; L232-T236 PolarHBondContact O-N 3.11Å; L232-T236 PolarHBondContact O-OG1 2.96Å |
| 233 | D | 91.6 | Very high | 89.4 | Confident | 103 Ų | 103 | 83.4 Ų | 83.4 | 55% | 0.551 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -57.8 | -42.9 | 177 | -71 | -25.1 | 0 | 0 | 0 | 111.6 | V229 L235 T236 L237 | V229-D233 PolarHBondContact O-N 3.07Å; D233-L235 PolarHBondContact O-N 3.45Å; D233-T236 PolarHBondContact O-N 2.99Å; D233-L237 PolarHBondContact O-N 3.04Å |
| 234 | R | 86.8 | Confident | 89.3 | Confident | 92 Ų | 92 | 78.3 Ų | 78.3 | 35% | 0.347 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -60.4 | -43.4 | 175.8 | -172.3 | -175.3 | 68.1 | 73.4 | 0.4 | 111.8 | S230 E231 L232 V238 | S230-R234 WeakPolarHBondContact O-CB 3.43Å; S230-R234 PolarHBondContact O-N 2.7Å; E231-R234 PolarHBondContact O-N 2.77Å; E231-R234 IonicContact OE1-NE 2.75Å; E231-R234 IonicContact OE2-CZ 3.77Å; E231-R234 VanDerWaalsContact OE2-CZ 3.28Å; E231-R234 IonicContact OE2-NE 2.79Å; E231-R234 PolarHBondContact OE2-NE 2.88Å; E231-R234 IonicContact OE2-NH2 3.28Å; E231-R234 PolarHBondContact OE2-NH2 2.97Å; L232-R234 VanDerWaalsContact C-N 3.3Å; L232-R234 PolarHBondContact O-N 3.24Å; R234-V238 WeakPolarHBondContact O-CG2 3.28Å; R234-V238 PolarHBondContact O-N 2.84Å |
| 235 | L | 87.2 | Confident | 89.1 | Confident | 32 Ų | 32 | 76.4 Ų | 76.4 | 17% | 0.168 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -71.2 | -40.3 | 178.7 | -69 | 164.8 | 0 | 0 | 0 | 111.9 | E231 L232 D233 L237 V238 I239 F275 | E231-L235 WeakPolarHBondContact O-CD1 3.42Å; E231-L235 VanDerWaalsContact O-CG 3.23Å; E231-L235 WeakPolarHBondContact O-CG 3.29Å; E231-L235 PolarHBondContact O-N 2.92Å; L232-L235 PolarHBondContact O-N 2.77Å; L232-L235 VanDerWaalsContact O-N 3.12Å; D233-L235 PolarHBondContact O-N 3.45Å; L235-L237 VanDerWaalsContact C-N 3.26Å; L235-L237 PolarHBondContact O-N 2.83Å; L235-V238 PolarHBondContact O-N 3.1Å; L235-I239 WeakPolarHBondContact O-CB 3.44Å; L235-I239 WeakPolarHBondContact O-CG1 3.36Å; L235-I239 PolarHBondContact O-N 2.86Å; L235-F275 HydrophobicContact CD1-CD1 3.39Å; L235-F275 HydrophobicContact CD1-CE1 3.48Å; L235-F275 VanDerWaalsContact CD1-CE1 3.48Å; L235-F275 HydrophobicContact CD2-CD1 3.85Å; L235-F275 HydrophobicContact CD2-CE1 3.28Å; L235-F275 HydrophobicContact CD2-CZ 4.1Å; L235-F275 HydrophobicContact CG-CD1 4.23Å; L235-F275 HydrophobicContact CG-CE1 3.96Å |
| 236 | T | 91.8 | Very high | 88.8 | Confident | 79 Ų | 79 | 74.1 Ų | 74.1 | 49% | 0.485 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -57.7 | -40.7 | 174.6 | -63.8 | 0 | 0 | 0 | 0 | 111.3 | L232 D233 S240 | L232-T236 WeakPolarHBondContact O-CB 3.44Å; L232-T236 PolarHBondContact O-N 3.11Å; L232-T236 PolarHBondContact O-OG1 2.96Å; D233-T236 PolarHBondContact O-N 2.99Å; T236-S240 WeakPolarHBondContact O-CB 3.48Å; T236-S240 PolarHBondContact O-N 2.93Å; T236-S240 PolarHBondContact O-OG 2.86Å |
| 237 | L | 90.4 | Very high | 88.7 | Confident | 109 Ų | 109 | 80.2 Ų | 80.2 | 57% | 0.571 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -62 | -50.9 | 175.2 | -173.1 | 68.9 | 0 | 0 | 0 | 111.6 | D233 L235 I239 S240 E241 | D233-L237 PolarHBondContact O-N 3.04Å; L235-L237 VanDerWaalsContact C-N 3.26Å; L235-L237 PolarHBondContact O-N 2.83Å; L237-I239 PolarHBondContact O-N 2.9Å; L237-S240 PolarHBondContact O-N 2.94Å; L237-E241 WeakPolarHBondContact O-CG 3.44Å; L237-E241 PolarHBondContact O-N 3Å |
| 238 | V | 86.2 | Confident | 88.5 | Confident | 40 Ų | 40 | 75.9 Ų | 75.9 | 24% | 0.242 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -63.6 | -41.3 | 179.9 | 171.7 | 0 | 0 | 0 | 0 | 112.2 | R234 L235 E241 L242 Y270 | R234-V238 WeakPolarHBondContact O-CG2 3.28Å; R234-V238 PolarHBondContact O-N 2.84Å; L235-V238 PolarHBondContact O-N 3.1Å; V238-E241 PolarHBondContact O-N 2.96Å; V238-L242 HydrophobicContact CG1-CD1 3.99Å; V238-L242 HydrophobicContact CG1-CG 4.47Å; V238-L242 WeakPolarHBondContact O-CB 3.34Å; V238-L242 WeakPolarHBondContact O-CG 3.47Å; V238-L242 PolarHBondContact O-N 2.97Å; V238-Y270 HydrophobicContact CG1-CD1 3.58Å; V238-Y270 HydrophobicContact CG1-CE1 4.1Å; V238-Y270 HydrophobicContact CG1-CG 4.49Å |
| 239 | I | 88.5 | Confident | 88.5 | Confident | 86 Ų | 86 | 78.7 Ų | 78.7 | 44% | 0.441 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -60.9 | -48.1 | 176 | -70.7 | 165.4 | 0 | 0 | 0 | 109.7 | L235 L237 E241 L242 E243 | L235-I239 WeakPolarHBondContact O-CB 3.44Å; L235-I239 WeakPolarHBondContact O-CG1 3.36Å; L235-I239 PolarHBondContact O-N 2.86Å; L237-I239 PolarHBondContact O-N 2.9Å; I239-E241 VanDerWaalsContact C-N 3.31Å; I239-E241 PolarHBondContact O-N 3.28Å; I239-L242 PolarHBondContact O-N 3.08Å; I239-E243 HydrophobicContact CG2-CG 4.13Å; I239-E243 WeakPolarHBondContact O-CB 2.78Å; I239-E243 WeakPolarHBondContact O-CG 3.23Å; I239-E243 PolarHBondContact O-N 2.89Å |
| 240 | S | 91.8 | Very high | 88.2 | Confident | 65 Ų | 65 | 79 Ų | 79 | 46% | 0.455 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -60.8 | -39.6 | 179.6 | -58.3 | 0 | 0 | 0 | 0 | 112.1 | T236 L237 G244 | T236-S240 WeakPolarHBondContact O-CB 3.48Å; T236-S240 PolarHBondContact O-N 2.93Å; T236-S240 PolarHBondContact O-OG 2.86Å; L237-S240 PolarHBondContact O-N 2.94Å; S240-G244 PolarHBondContact O-N 2.81Å |
| 241 | E | 87.4 | Confident | 87.9 | Confident | 88 Ų | 88 | 78.8 Ų | 78.8 | 41% | 0.411 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62.5 | -46.8 | 173.9 | -74.1 | -177 | -166 | 0 | 0 | 112.3 | L237 V238 I239 G244 K245 Y270 | L237-E241 WeakPolarHBondContact O-CG 3.44Å; L237-E241 PolarHBondContact O-N 3Å; V238-E241 PolarHBondContact O-N 2.96Å; I239-E241 VanDerWaalsContact C-N 3.31Å; I239-E241 PolarHBondContact O-N 3.28Å; E241-G244 PolarHBondContact O-N 2.92Å; E241-K245 WeakPolarHBondContact O-CG 3.49Å; E241-K245 PolarHBondContact O-N 3.02Å; E241-Y270 WeakPolarHBondContact OE2-CE1 3.3Å; E241-Y270 PolarHBondContact OE2-OH 3.35Å |
| 242 | L | 86 | Confident | 87.5 | Confident | 62 Ų | 62 | 81 Ų | 81 | 33% | 0.325 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -68.3 | -40.6 | -179.2 | -74.5 | 175.3 | 0 | 0 | 0 | 112.2 | V238 I239 G244 K245 A246 F266 Y270 | V238-L242 HydrophobicContact CG1-CD1 3.99Å; V238-L242 HydrophobicContact CG1-CG 4.47Å; V238-L242 WeakPolarHBondContact O-CB 3.34Å; V238-L242 WeakPolarHBondContact O-CG 3.47Å; V238-L242 PolarHBondContact O-N 2.97Å; I239-L242 PolarHBondContact O-N 3.08Å; L242-G244 VanDerWaalsContact C-N 3.3Å; L242-G244 PolarHBondContact O-N 3.47Å; L242-K245 PolarHBondContact O-N 3.36Å; L242-A246 WeakPolarHBondContact O-CB 3.33Å; L242-A246 PolarHBondContact O-N 3.47Å; L242-F266 HydrophobicContact CD2-CE1 4.45Å; L242-Y270 HydrophobicContact CD1-CD1 4.4Å; L242-Y270 HydrophobicContact CD1-CG 4.26Å; L242-Y270 HydrophobicContact CD2-CD1 4.34Å; L242-Y270 HydrophobicContact CD2-CD2 3.56Å; L242-Y270 HydrophobicContact CD2-CE1 4.29Å; L242-Y270 HydrophobicContact CD2-CE2 3.5Å; L242-Y270 VanDerWaalsContact CD2-CE2 3.5Å; L242-Y270 HydrophobicContact CD2-CG 3.97Å; L242-Y270 HydrophobicContact CG-CD1 4.32Å; L242-Y270 HydrophobicContact CG-CD2 4.38Å; L242-Y270 HydrophobicContact CG-CE1 4.31Å; L242-Y270 HydrophobicContact CG-CE2 4.37Å; L242-Y270 HydrophobicContact CG-CG 4.33Å |
| 243 | E | 90.7 | Very high | 87.1 | Confident | 103 Ų | 103 | 78.3 Ų | 78.3 | 48% | 0.481 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62 | -39 | 172.8 | -74.3 | -175.8 | 159.7 | 0 | 0 | 111.7 | I239 R247 | I239-E243 HydrophobicContact CG2-CG 4.13Å; I239-E243 WeakPolarHBondContact O-CB 2.78Å; I239-E243 WeakPolarHBondContact O-CG 3.23Å; I239-E243 PolarHBondContact O-N 2.89Å; E243-R247 WeakPolarHBondContact O-CG 3.23Å; E243-R247 PolarHBondContact O-N 3.23Å |
| 244 | G | 89.7 | Confident | 86.4 | Confident | 40 Ų | 40 | 78.4 Ų | 78.4 | 41% | 0.412 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.3 | -49.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | S240 E241 L242 A246 R247 | S240-G244 PolarHBondContact O-N 2.81Å; E241-G244 PolarHBondContact O-N 2.92Å; L242-G244 VanDerWaalsContact C-N 3.3Å; L242-G244 PolarHBondContact O-N 3.47Å; G244-A246 PolarHBondContact O-N 2.9Å; G244-R247 PolarHBondContact O-N 3.48Å |
| 245 | K | 85 | Confident | 85.8 | Confident | 29 Ų | 29 | 80.2 Ų | 80.2 | 13% | 0.126 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -62.9 | -39.8 | 177 | -73.6 | -177.9 | 177.4 | 175.3 | 0 | 113 | E241 L242 R247 Q248 L253 F266 Y270 | E241-K245 WeakPolarHBondContact O-CG 3.49Å; E241-K245 PolarHBondContact O-N 3.02Å; L242-K245 PolarHBondContact O-N 3.36Å; K245-R247 PolarHBondContact O-N 3.06Å; K245-R247 VanDerWaalsContact O-N 3.15Å; K245-Q248 WeakPolarHBondContact O-CB 3.36Å; K245-Q248 PolarHBondContact O-N 3.38Å; K245-Q248 VanDerWaalsContact O-N 3.09Å; K245-L253 HydrophobicContact CB-CD1 4.48Å; K245-F266 HydrophobicContact CD-CE2 4.25Å; K245-F266 HydrophobicContact CD-CZ 3.88Å; K245-Y270 PolarHBondContact NZ-OH 3.26Å |
| 246 | A | 85.3 | Confident | 84.8 | Confident | 80 Ų | 80 | 81.5 Ų | 81.5 | 66% | 0.661 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -62.3 | -21 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | L242 G244 | L242-A246 WeakPolarHBondContact O-CB 3.33Å; L242-A246 PolarHBondContact O-N 3.47Å; G244-A246 PolarHBondContact O-N 2.9Å |
| 247 | R | 89.2 | Confident | 83.5 | Confident | 208 Ų | 208 | 78.8 Ų | 78.8 | 79% | 0.785 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | -5 | 177.5 | -65.5 | 175.1 | -171.1 | -157.4 | 5.5 | 113.8 | E243 G244 K245 | E243-R247 WeakPolarHBondContact O-CG 3.23Å; E243-R247 PolarHBondContact O-N 3.23Å; G244-R247 PolarHBondContact O-N 3.48Å; K245-R247 PolarHBondContact O-N 3.06Å; K245-R247 VanDerWaalsContact O-N 3.15Å |
| 248 | Q | 85.6 | Confident | 82.1 | Confident | 53 Ų | 53 | 77.2 Ų | 77.2 | 25% | 0.248 | 43% | 0.434 | C | S | . | . | S | Bend | trans | -67 | 147 | -179.7 | -75.1 | 172.5 | -22.9 | 0 | 0 | 111.5 | K245 E252 L253 D256 | K245-Q248 WeakPolarHBondContact O-CB 3.36Å; K245-Q248 PolarHBondContact O-N 3.38Å; K245-Q248 VanDerWaalsContact O-N 3.09Å; Q248-E252 HydrophobicContact CB-CB 4.37Å; Q248-L253 HydrophobicContact CB-CB 4.28Å; Q248-D256 PolarHBondContact NE2-OD2 3.39Å; Q248-D256 PolarHBondContact OE1-OD2 3.16Å |
| 249 | P | 88.4 | Confident | 80.8 | Confident | 75 Ų | 75 | 80.3 Ų | 80.3 | 49% | 0.487 | 45% | 0.454 | S | S | . | . | trans | -53.5 | 142.7 | 167.9 | -23.1 | 33 | 0 | 0 | 0 | 111.3 | A251 E252 L253 | P249-A251 PolarHBondContact O-N 3.47Å; P249-E252 WeakPolarHBondContact CD-OE2 3.48Å; P249-E252 PolarHBondContact O-N 2.87Å; P249-L253 PolarHBondContact O-N 2.95Å | ||
| 250 | A | 84.5 | Confident | 79.3 | Confident | 78 Ų | 78 | 77.7 Ų | 77.7 | 65% | 0.645 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -52.7 | -33.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114 | M254 | A250-M254 VanDerWaalsContact O-CB 3.31Å; A250-M254 WeakPolarHBondContact O-CB 3.48Å; A250-M254 WeakPolarHBondContact O-CG 3.28Å; A250-M254 PolarHBondContact O-N 3.22Å |
| 251 | A | 83.2 | Confident | 77.5 | Confident | 70 Ų | 70 | 83.4 Ų | 83.4 | 58% | 0.579 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -68.3 | -38.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | P249 Q255 | P249-A251 PolarHBondContact O-N 3.47Å; A251-Q255 WeakPolarHBondContact O-CG 3.43Å; A251-Q255 PolarHBondContact O-N 3.45Å |
| 252 | E | 79.6 | Confident | 75.9 | Confident | 100 Ų | 100 | 83.7 Ų | 83.7 | 47% | 0.467 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -75 | -44.1 | 178.9 | -68.3 | 175.7 | -163.1 | 0 | 0 | 110.6 | Q248 P249 M254 Q255 D256 | Q248-E252 HydrophobicContact CB-CB 4.37Å; P249-E252 WeakPolarHBondContact CD-OE2 3.48Å; P249-E252 PolarHBondContact O-N 2.87Å; E252-M254 VanDerWaalsContact C-N 3.27Å; E252-M254 PolarHBondContact O-N 2.86Å; E252-Q255 WeakPolarHBondContact O-CB 3.4Å; E252-Q255 PolarHBondContact O-N 2.94Å; E252-D256 PolarHBondContact O-N 3.29Å |
| 253 | L | 79.9 | Confident | 74.4 | Confident | 52 Ų | 52 | 86.4 Ų | 86.4 | 27% | 0.272 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -56.9 | -43.9 | 174.2 | -179.7 | 62.9 | 0 | 0 | 0 | 111 | K245 Q248 P249 Q255 D256 V257 | K245-L253 HydrophobicContact CB-CD1 4.48Å; Q248-L253 HydrophobicContact CB-CB 4.28Å; P249-L253 PolarHBondContact O-N 2.95Å; L253-Q255 VanDerWaalsContact C-N 3.3Å; L253-Q255 PolarHBondContact O-N 2.91Å; L253-D256 PolarHBondContact O-N 2.99Å; L253-V257 HydrophobicContact CD1-CG2 4.22Å; L253-V257 HydrophobicContact CG-CG2 4.38Å; L253-V257 WeakPolarHBondContact O-CB 3.22Å; L253-V257 WeakPolarHBondContact O-CG2 3.29Å; L253-V257 PolarHBondContact O-N 3.01Å |
| 254 | M | 76.2 | Confident | 72.7 | Confident | 105 Ų | 105 | 89.6 Ų | 89.6 | 52% | 0.517 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.3 | -26.4 | 177.2 | -71.2 | -59.5 | -61.8 | 0 | 0 | 112.9 | A250 E252 C258 | A250-M254 VanDerWaalsContact O-CB 3.31Å; A250-M254 WeakPolarHBondContact O-CB 3.48Å; A250-M254 WeakPolarHBondContact O-CG 3.28Å; A250-M254 PolarHBondContact O-N 3.22Å; E252-M254 VanDerWaalsContact C-N 3.27Å; E252-M254 PolarHBondContact O-N 2.86Å; M254-C258 WeakPolarHBondContact O-CB 3.16Å; M254-C258 PolarHBondContact O-N 3.01Å; M254-C258 PolarHBondContact O-SG 3.28Å |
| 255 | Q | 74.8 | Confident | 71.2 | Confident | 131 Ų | 131 | 90.5 Ų | 90.5 | 61% | 0.612 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -71.3 | -42.4 | 170.6 | -74 | 172.9 | 10.5 | 0 | 0 | 111.4 | A251 E252 L253 V257 C258 T259 | A251-Q255 WeakPolarHBondContact O-CG 3.43Å; A251-Q255 PolarHBondContact O-N 3.45Å; E252-Q255 WeakPolarHBondContact O-CB 3.4Å; E252-Q255 PolarHBondContact O-N 2.94Å; L253-Q255 VanDerWaalsContact C-N 3.3Å; L253-Q255 PolarHBondContact O-N 2.91Å; Q255-V257 VanDerWaalsContact C-N 3.29Å; Q255-V257 PolarHBondContact O-N 3.47Å; Q255-C258 PolarHBondContact O-N 2.97Å; Q255-T259 WeakPolarHBondContact O-CG2 3.42Å; Q255-T259 PolarHBondContact O-N 3.49Å; Q255-T259 PolarHBondContact O-OG1 2.91Å |
| 256 | D | 67.6 | Low | 70 | Confident | 58 Ų | 58 | 91.2 Ų | 91.2 | 31% | 0.31 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.6 | -30.1 | 176.9 | -83.4 | -0.9 | 0 | 0 | 0 | 112.6 | Q248 E252 L253 T259 | Q248-D256 PolarHBondContact NE2-OD2 3.39Å; Q248-D256 PolarHBondContact OE1-OD2 3.16Å; E252-D256 PolarHBondContact O-N 3.29Å; L253-D256 PolarHBondContact O-N 2.99Å; D256-T259 PolarHBondContact O-OG1 3.48Å |
| 257 | V | 64.4 | Low | 68.8 | Low | 23 Ų | 23 | 90.7 Ų | 90.7 | 14% | 0.139 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -83.8 | -37.7 | 175.3 | 175.1 | 0 | 0 | 0 | 0 | 111.9 | L253 Q255 T260 T263 F266 | L253-V257 HydrophobicContact CD1-CG2 4.22Å; L253-V257 HydrophobicContact CG-CG2 4.38Å; L253-V257 WeakPolarHBondContact O-CB 3.22Å; L253-V257 WeakPolarHBondContact O-CG2 3.29Å; L253-V257 PolarHBondContact O-N 3.01Å; Q255-V257 VanDerWaalsContact C-N 3.29Å; Q255-V257 PolarHBondContact O-N 3.47Å; V257-T260 PolarHBondContact O-N 2.86Å; V257-T260 PolarHBondContact O-OG1 3.48Å; V257-T263 HydrophobicContact CG1-CG2 4.36Å; V257-F266 HydrophobicContact CB-CD2 4.42Å; V257-F266 HydrophobicContact CG2-CD2 3.72Å; V257-F266 HydrophobicContact CG2-CE2 3.8Å; V257-F266 HydrophobicContact CG2-CG 4.28Å; V257-F266 HydrophobicContact CG2-CZ 4.43Å |
| 258 | C | 59.8 | Low | 67.6 | Low | 75 Ų | 75 | 86 Ų | 86 | 51% | 0.507 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -82.4 | -12.5 | -178.1 | -70 | 0 | 0 | 0 | 0 | 114.3 | M254 Q255 T260 | M254-C258 WeakPolarHBondContact O-CB 3.16Å; M254-C258 PolarHBondContact O-N 3.01Å; M254-C258 PolarHBondContact O-SG 3.28Å; Q255-C258 PolarHBondContact O-N 2.97Å; C258-T260 PolarHBondContact O-N 3.24Å |
| 259 | T | 59.7 | Low | 66.5 | Low | 106 Ų | 106 | 89.1 Ų | 89.1 | 65% | 0.65 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -19.2 | 169.8 | 40.1 | 0 | 0 | 0 | 0 | 112.5 | Q255 D256 | Q255-T259 WeakPolarHBondContact O-CG2 3.42Å; Q255-T259 PolarHBondContact O-N 3.49Å; Q255-T259 PolarHBondContact O-OG1 2.91Å; D256-T259 PolarHBondContact O-OG1 3.48Å |
| 260 | T | 57.1 | Low | 65.5 | Low | 30 Ų | 30 | 87.5 Ų | 87.5 | 18% | 0.184 | 48% | 0.479 | C | S | . | . | S | Bend | trans | -91.9 | 109.5 | 164 | 47.7 | 0 | 0 | 0 | 0 | 107.8 | V257 C258 D262 | V257-T260 PolarHBondContact O-N 2.86Å; V257-T260 PolarHBondContact O-OG1 3.48Å; C258-T260 PolarHBondContact O-N 3.24Å; T260-D262 PolarHBondContact O-N 3.22Å |
| 261 | Q | 54 | Low | 64.5 | Low | 186 Ų | 186 | 87.4 Ų | 87.4 | 87% | 0.869 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -63.4 | -1.8 | -171.6 | -149.3 | 93.1 | 12.2 | 0 | 0 | 114.3 | ||
| 262 | D | 53.4 | Low | 63.6 | Low | 94 Ų | 94 | 95.5 Ų | 95.5 | 50% | 0.503 | 49% | 0.488 | S | S | . | . | trans | -125.1 | 119.4 | 171.4 | -91.4 | -51.7 | 0 | 0 | 0 | 109.5 | T260 K264 D265 | T260-D262 PolarHBondContact O-N 3.22Å; D262-K264 PolarHBondContact O-N 2.9Å; D262-K264 VanDerWaalsContact O-N 3.09Å; D262-D265 HydrophobicContact CB-CB 4.16Å; D262-D265 WeakPolarHBondContact O-CB 3.37Å; D262-D265 PolarHBondContact O-N 3.32Å | ||
| 263 | T | 53.7 | Low | 62.7 | Low | 118 Ų | 118 | 95.9 Ų | 95.9 | 72% | 0.724 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -14.2 | 172.3 | 37.8 | 0 | 0 | 0 | 0 | 112.9 | V257 D265 | V257-T263 HydrophobicContact CG1-CG2 4.36Å; T263-D265 VanDerWaalsContact C-N 3.32Å |
| 264 | K | 55.8 | Low | 61.8 | Low | 171 Ų | 171 | 99.5 Ų | 99.5 | 74% | 0.743 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -18.7 | 168.5 | -72.9 | -179.6 | 174.9 | 178.8 | 0 | 113.1 | D262 | D262-K264 PolarHBondContact O-N 2.9Å; D262-K264 VanDerWaalsContact O-N 3.09Å |
| 265 | D | 58.3 | Low | 61 | Low | 59 Ų | 59 | 99.9 Ų | 99.9 | 32% | 0.316 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -86.6 | -15.7 | -175.5 | -78.5 | -18.3 | 0 | 0 | 0 | 115 | D262 T263 A267 N268 K269 | D262-D265 HydrophobicContact CB-CB 4.16Å; D262-D265 WeakPolarHBondContact O-CB 3.37Å; D262-D265 PolarHBondContact O-N 3.32Å; T263-D265 VanDerWaalsContact C-N 3.32Å; D265-A267 PolarHBondContact O-N 3.35Å; D265-N268 CarbonylContact O-C 3.56Å; D265-N268 WeakPolarHBondContact O-CA 3.36Å; D265-N268 WeakPolarHBondContact O-CB 3.39Å; D265-N268 PolarHBondContact O-N 3.2Å; D265-N268 PolarHBondContact OD1-ND2 3.21Å; D265-K269 PolarHBondContact O-N 3.43Å |
| 266 | F | 59.2 | Low | 60.4 | Low | 44 Ų | 44 | 96.6 Ų | 96.6 | 19% | 0.193 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -62.1 | -37.4 | 176.8 | -169.7 | -92.3 | 0 | 0 | 0 | 111.5 | L242 K245 V257 K269 Y270 | L242-F266 HydrophobicContact CD2-CE1 4.45Å; K245-F266 HydrophobicContact CD-CE2 4.25Å; K245-F266 HydrophobicContact CD-CZ 3.88Å; V257-F266 HydrophobicContact CB-CD2 4.42Å; V257-F266 HydrophobicContact CG2-CD2 3.72Å; V257-F266 HydrophobicContact CG2-CE2 3.8Å; V257-F266 HydrophobicContact CG2-CG 4.28Å; V257-F266 HydrophobicContact CG2-CZ 4.43Å; F266-K269 WeakPolarHBondContact O-CB 3.21Å; F266-K269 PolarHBondContact O-N 2.83Å; F266-Y270 HydrophobicContact CZ-CE2 4.45Å |
| 267 | A | 60.6 | Low | 60.2 | Low | 69 Ų | 69 | 101.5 Ų | 101.5 | 57% | 0.57 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -72.2 | -33.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | D265 K269 Y270 | D265-A267 PolarHBondContact O-N 3.35Å; A267-K269 PolarHBondContact O-N 2.72Å; A267-Y270 CarbonylContact O-C 3.6Å; A267-Y270 PolarHBondContact O-N 3.47Å; A267-Y270 VanDerWaalsContact O-N 3.07Å; A267-Y270 VanDerWaalsContact O-O 3.12Å |
| 268 | N | 63.3 | Low | 60.5 | Low | 108 Ų | 108 | 101.6 Ų | 101.6 | 58% | 0.578 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.5 | -22.3 | 173.7 | -72.2 | -21.3 | 0 | 0 | 0 | 113.2 | D265 Y270 P271 | D265-N268 CarbonylContact O-C 3.56Å; D265-N268 WeakPolarHBondContact O-CA 3.36Å; D265-N268 WeakPolarHBondContact O-CB 3.39Å; D265-N268 PolarHBondContact O-N 3.2Å; D265-N268 PolarHBondContact OD1-ND2 3.21Å; N268-Y270 PolarHBondContact O-N 3Å; N268-P271 WeakPolarHBondContact O-CD 3.36Å |
| 269 | K | 64.1 | Low | 61.5 | Low | 120 Ų | 120 | 106.9 Ų | 106.9 | 52% | 0.522 | 53% | 0.527 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -22.6 | 172.7 | -156.5 | 170.6 | -172.2 | 167.7 | 0 | 112.5 | D265 F266 A267 P271 | D265-K269 PolarHBondContact O-N 3.43Å; F266-K269 WeakPolarHBondContact O-CB 3.21Å; F266-K269 PolarHBondContact O-N 2.83Å; A267-K269 PolarHBondContact O-N 2.72Å; K269-P271 VanDerWaalsContact C-CD 3.48Å |
| 270 | Y | 67.3 | Low | 62.7 | Low | 40 Ų | 40 | 104.8 Ų | 104.8 | 16% | 0.157 | 52% | 0.52 | C | S | . | . | S | Bend | trans | -128.3 | 63.3 | 176.9 | -59.6 | -75.2 | 0 | 0 | 0 | 109.3 | V238 E241 L242 K245 F266 A267 N268 R272 | V238-Y270 HydrophobicContact CG1-CD1 3.58Å; V238-Y270 HydrophobicContact CG1-CE1 4.1Å; V238-Y270 HydrophobicContact CG1-CG 4.49Å; E241-Y270 WeakPolarHBondContact OE2-CE1 3.3Å; E241-Y270 PolarHBondContact OE2-OH 3.35Å; L242-Y270 HydrophobicContact CD1-CD1 4.4Å; L242-Y270 HydrophobicContact CD1-CG 4.26Å; L242-Y270 HydrophobicContact CD2-CD1 4.34Å; L242-Y270 HydrophobicContact CD2-CD2 3.56Å; L242-Y270 HydrophobicContact CD2-CE1 4.29Å; L242-Y270 HydrophobicContact CD2-CE2 3.5Å; L242-Y270 VanDerWaalsContact CD2-CE2 3.5Å; L242-Y270 HydrophobicContact CD2-CG 3.97Å; L242-Y270 HydrophobicContact CG-CD1 4.32Å; L242-Y270 HydrophobicContact CG-CD2 4.38Å; L242-Y270 HydrophobicContact CG-CE1 4.31Å; L242-Y270 HydrophobicContact CG-CE2 4.37Å; L242-Y270 HydrophobicContact CG-CG 4.33Å; K245-Y270 PolarHBondContact NZ-OH 3.26Å; F266-Y270 HydrophobicContact CZ-CE2 4.45Å; A267-Y270 CarbonylContact O-C 3.6Å; A267-Y270 PolarHBondContact O-N 3.47Å; A267-Y270 VanDerWaalsContact O-N 3.07Å; A267-Y270 VanDerWaalsContact O-O 3.12Å; N268-Y270 PolarHBondContact O-N 3Å; Y270-R272 PolarHBondContact O-N 2.96Å |
| 271 | P | 62.4 | Low | 64.2 | Low | 77 Ų | 77 | 106.7 Ų | 106.7 | 50% | 0.5 | 53% | 0.529 | S | S | . | . | trans | -59.2 | 133.2 | -175.9 | 25.4 | -29.9 | 0 | 0 | 0 | 108 | N268 K269 K273 | N268-P271 WeakPolarHBondContact O-CD 3.36Å; K269-P271 VanDerWaalsContact C-CD 3.48Å; P271-K273 HydrophobicContact CG-CG 4.41Å; P271-K273 PolarHBondContact O-N 3.49Å | ||
| 272 | R | 63.9 | Low | 65.8 | Low | 240 Ų | 240 | 101 Ų | 101 | 91% | 0.906 | 51% | 0.508 | S | S | * | . | trans | -63.6 | 78.5 | 161.8 | -85.9 | -174.8 | 168.4 | -168.7 | -2.8 | 107.2 | Y270 K274 | Y270-R272 PolarHBondContact O-N 2.96Å; R272-K274 PolarHBondContact O-N 3.5Å | ||
| 273 | K | 61.8 | Low | 67.6 | Low | 107 Ų | 107 | 103.3 Ų | 103.3 | 47% | 0.465 | 52% | 0.515 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 130.4 | 161 | -71.1 | -168.1 | 176.2 | -167.4 | 0 | 105.6 | P271 F275 Y413 | P271-K273 HydrophobicContact CG-CG 4.41Å; P271-K273 PolarHBondContact O-N 3.49Å; K273-F275 PolarHBondContact O-N 3.07Å; K273-Y413 PolarHBondContact NZ-OH 3.43Å |
| 274 | K | 60.5 | Low | 69.3 | Low | 128 Ų | 128 | 101.7 Ų | 101.7 | 56% | 0.557 | 50% | 0.5 | S | S | * | . | P | Polyproline II helix | trans | -47.8 | 117.2 | 169 | -68.2 | -176.6 | -169.1 | 179.1 | 0 | 106 | R272 E417 | R272-K274 PolarHBondContact O-N 3.5Å; K274-E417 WeakPolarHBondContact CE-OE1 3.41Å; K274-E417 IonicContact NZ-OE1 2.88Å; K274-E417 PolarHBondContact NZ-OE1 3.39Å; K274-E417 IonicContact NZ-OE2 3.35Å; K274-E417 PolarHBondContact NZ-OE2 3.43Å |
| 275 | F | 59 | Low | 71.1 | Confident | 114 Ų | 114 | 93.9 Ų | 93.9 | 50% | 0.5 | 47% | 0.467 | S | S | . | . | P | Polyproline II helix | trans | -54.6 | 149 | -178.7 | -69 | -105.2 | 0 | 0 | 0 | 107.6 | L235 K273 I277 | L235-F275 HydrophobicContact CD1-CD1 3.39Å; L235-F275 HydrophobicContact CD1-CE1 3.48Å; L235-F275 VanDerWaalsContact CD1-CE1 3.48Å; L235-F275 HydrophobicContact CD2-CD1 3.85Å; L235-F275 HydrophobicContact CD2-CE1 3.28Å; L235-F275 HydrophobicContact CD2-CZ 4.1Å; L235-F275 HydrophobicContact CG-CD1 4.23Å; L235-F275 HydrophobicContact CG-CE1 3.96Å; K273-F275 PolarHBondContact O-N 3.07Å; F275-I277 PolarHBondContact O-N 3.15Å |
| 276 | W | 62.2 | Low | 72.7 | Confident | 62 Ų | 62 | 97.1 Ų | 97.1 | 24% | 0.235 | 48% | 0.478 | C | S | . | . | trans | -60.7 | 107.1 | 178.3 | 177.4 | 76.1 | 0 | 0 | 0 | 109.8 | F224 R227 E231 | F224-W276 HydrophobicContact CB-CH2 4.48Å; F224-W276 AromaticContact CD1-CH2 3.91Å; F224-W276 HydrophobicContact CD1-CH2 3.91Å; F224-W276 HydrophobicContact CD1-CZ3 4.41Å; F224-W276 AromaticContact CD2-CH2 3.2Å; F224-W276 HydrophobicContact CD2-CH2 3.2Å; F224-W276 AromaticContact CD2-CZ2 3.65Å; F224-W276 HydrophobicContact CD2-CZ2 3.65Å; F224-W276 HydrophobicContact CD2-CZ3 4.26Å; F224-W276 AromaticContact CE1-CH2 3.8Å; F224-W276 HydrophobicContact CE1-CH2 3.8Å; F224-W276 AromaticContact CE1-CZ3 3.97Å; F224-W276 HydrophobicContact CE1-CZ3 3.97Å; F224-W276 AromaticContact CE2-CH2 3.06Å; F224-W276 HydrophobicContact CE2-CH2 3.06Å; F224-W276 AromaticContact CE2-CZ2 3.6Å; F224-W276 HydrophobicContact CE2-CZ2 3.6Å; F224-W276 AromaticContact CE2-CZ3 3.78Å; F224-W276 HydrophobicContact CE2-CZ3 3.78Å; F224-W276 AromaticContact CG-CH2 3.62Å; F224-W276 HydrophobicContact CG-CH2 3.62Å; F224-W276 HydrophobicContact CG-CZ2 4.38Å; F224-W276 AromaticContact CZ-CH2 3.38Å; F224-W276 HydrophobicContact CZ-CH2 3.38Å; F224-W276 HydrophobicContact CZ-CZ2 4.31Å; F224-W276 AromaticContact CZ-CZ3 3.62Å; F224-W276 HydrophobicContact CZ-CZ3 3.62Å; R227-W276 HydrophobicContact CB-CH2 4.42Å; R227-W276 HydrophobicContact CB-CZ2 4.31Å; R227-W276 HydrophobicContact CG-CD2 4.25Å; R227-W276 HydrophobicContact CG-CZ2 4.12Å; R227-W276 VanDerWaalsContact NE-CD1 3.31Å; R227-W276 VanDerWaalsContact NH1-NE1 3.19Å; E231-W276 HydrophobicContact CG-CB 3.81Å; E231-W276 HydrophobicContact CG-CG 4.43Å | ||
| 277 | I | 64.9 | Low | 74.4 | Confident | 160 Ų | 160 | 101.7 Ų | 101.7 | 82% | 0.821 | 50% | 0.495 | S | S | * | . | trans | -115.3 | 71.1 | 170.5 | -56.1 | 168.7 | 0 | 0 | 0 | 105.7 | F275 | F275-I277 PolarHBondContact O-N 3.15Š| ||
| 278 | G | 69.4 | Low | 75.9 | Confident | 26 Ų | 26 | 102.2 Ų | 102.2 | 27% | 0.268 | 48% | 0.484 | S | S | . | . | trans | -75.9 | 145 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | F224 A280 | F224-G278 WeakPolarHBondContact CE2-O 3.5Å; G278-A280 PolarHBondContact O-N 3.34Å | ||
| 279 | K | 80.8 | Confident | 77.4 | Confident | 186 Ų | 186 | 99 Ų | 99 | 81% | 0.809 | 47% | 0.472 | S | S | * | . | trans | -63.4 | 130.9 | 165.8 | -68.2 | -176.4 | -179.7 | 176.7 | 0 | 108.9 | I281 | K279-I281 VanDerWaalsContact C-N 3.27Å; K279-I281 PolarHBondContact O-N 3.18Å | ||
| 280 | A | 85.4 | Confident | 78.8 | Confident | 62 Ų | 62 | 94.9 Ų | 94.9 | 51% | 0.512 | 46% | 0.464 | S | S | . | . | S | Bend | trans | -65.4 | -29.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | F224 G278 | F224-A280 HydrophobicContact CD2-CB 4.33Å; F224-A280 HydrophobicContact CE2-CB 4.03Å; F224-A280 HydrophobicContact CZ-CB 4.22Å; G278-A280 PolarHBondContact O-N 3.34Å |
| 281 | I | 89.4 | Confident | 80.1 | Confident | 69 Ų | 69 | 96.9 Ų | 96.9 | 35% | 0.354 | 48% | 0.475 | S | S | . | . | S | Bend | trans | -120 | 120.9 | -179.3 | -56.7 | 175.2 | 0 | 0 | 0 | 108 | L217 K279 V285 K286 | L217-I281 HydrophobicContact CD2-CD1 4.4Å; L217-I281 HydrophobicContact CD2-CG1 4.24Å; L217-I281 HydrophobicContact CD2-CG2 3.91Å; K279-I281 VanDerWaalsContact C-N 3.27Å; K279-I281 PolarHBondContact O-N 3.18Å; I281-V285 HydrophobicContact CG2-CB 4.01Å; I281-V285 HydrophobicContact CG2-CG1 4.13Å; I281-K286 HydrophobicContact CB-CG 4.43Å; I281-K286 HydrophobicContact CG2-CG 3.79Å |
| 282 | P | 86.5 | Confident | 81.6 | Confident | 67 Ų | 67 | 94 Ų | 94 | 44% | 0.435 | 45% | 0.454 | S | S | . | . | trans | -59.1 | 144.3 | 175.5 | -23.6 | 33.6 | 0 | 0 | 0 | 112.4 | M284 V285 K286 | P282-M284 VanDerWaalsContact C-N 3.29Å; P282-M284 PolarHBondContact O-N 3.3Å; P282-V285 HydrophobicContact CB-CG2 4.25Å; P282-V285 HydrophobicContact CG-CG2 4.33Å; P282-V285 PolarHBondContact O-N 2.64Å; P282-K286 PolarHBondContact O-N 3.2Å | ||
| 283 | H | 90.4 | Very high | 83 | Confident | 143 Ų | 143 | 85.5 Ų | 85.5 | 66% | 0.662 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -52.4 | -45.5 | 179.8 | 178.4 | -106.8 | 0 | 0 | 0 | 112.5 | V285 K286 R287 | H283-V285 PolarHBondContact O-N 3.37Å; H283-K286 WeakPolarHBondContact O-CB 3.01Å; H283-K286 PolarHBondContact O-N 3.44Å; H283-R287 PolarHBondContact O-N 2.91Å |
| 284 | M | 90.9 | Very high | 84.5 | Confident | 83 Ų | 83 | 84.9 Ų | 84.9 | 41% | 0.409 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -53.4 | -38.4 | 176.2 | -178.3 | -164.5 | 60.1 | 0 | 0 | 113.1 | P282 K288 | P282-M284 VanDerWaalsContact C-N 3.29Å; P282-M284 PolarHBondContact O-N 3.3Å; M284-K288 HydrophobicContact CG-CD 4.43Å; M284-K288 WeakPolarHBondContact O-CG 3Å; M284-K288 PolarHBondContact O-N 3.44Å; M284-K288 VanDerWaalsContact O-N 3.07Å |
| 285 | V | 92.4 | Very high | 85.9 | Confident | 8 Ų | 8 | 83.1 Ų | 83.1 | 5% | 0.048 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -73.2 | -38.2 | -179.8 | -178.8 | 0 | 0 | 0 | 0 | 110.6 | L216 L217 I281 P282 H283 A289 | L216-V285 HydrophobicContact CB-CG2 4.36Å; L217-V285 HydrophobicContact CD2-CG1 3.63Å; L217-V285 HydrophobicContact CG-CG1 3.83Å; I281-V285 HydrophobicContact CG2-CB 4.01Å; I281-V285 HydrophobicContact CG2-CG1 4.13Å; P282-V285 HydrophobicContact CB-CG2 4.25Å; P282-V285 HydrophobicContact CG-CG2 4.33Å; P282-V285 PolarHBondContact O-N 2.64Å; H283-V285 PolarHBondContact O-N 3.37Å; V285-A289 WeakPolarHBondContact O-CB 3.13Å; V285-A289 PolarHBondContact O-N 2.97Å |
| 286 | K | 92.9 | Very high | 87.5 | Confident | 126 Ų | 126 | 80.8 Ų | 80.8 | 55% | 0.548 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62 | -47.7 | 173.3 | -68.9 | -170.5 | 175.6 | -169.9 | 0 | 111.4 | I281 P282 H283 A289 G290 | I281-K286 HydrophobicContact CB-CG 4.43Å; I281-K286 HydrophobicContact CG2-CG 3.79Å; P282-K286 PolarHBondContact O-N 3.2Å; H283-K286 WeakPolarHBondContact O-CB 3.01Å; H283-K286 PolarHBondContact O-N 3.44Å; K286-A289 WeakPolarHBondContact O-CB 3.48Å; K286-A289 PolarHBondContact O-N 3.4Å; K286-A289 VanDerWaalsContact O-N 3.15Å; K286-G290 PolarHBondContact O-N 3.26Å |
| 287 | R | 93.8 | Very high | 88.8 | Confident | 141 Ų | 141 | 82.4 Ų | 82.4 | 53% | 0.532 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -57.7 | -50.9 | 177.7 | -168.7 | 179.6 | 67.8 | -160.8 | -2.3 | 111.8 | H283 A289 G290 E291 | H283-R287 PolarHBondContact O-N 2.91Å; R287-A289 VanDerWaalsContact C-N 3.25Å; R287-A289 PolarHBondContact O-N 3.26Å; R287-G290 WeakPolarHBondContact O-CA 3.36Å; R287-G290 PolarHBondContact O-N 3.21Å; R287-E291 IonicContact NE-OE1 3.48Å; R287-E291 WeakPolarHBondContact O-CG 3.36Å; R287-E291 PolarHBondContact O-N 2.89Å |
| 288 | K | 93.6 | Very high | 89.9 | Confident | 80 Ų | 80 | 78.2 Ų | 78.2 | 35% | 0.348 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.2 | -30.9 | 177.1 | -69.4 | -179.1 | 177.8 | -179.4 | 0 | 113.4 | L213 M284 F292 | L213-K288 HydrophobicContact CD2-CB 3.66Å; L213-K288 HydrophobicContact CD2-CD 4.4Å; M284-K288 HydrophobicContact CG-CD 4.43Å; M284-K288 WeakPolarHBondContact O-CG 3Å; M284-K288 PolarHBondContact O-N 3.44Å; M284-K288 VanDerWaalsContact O-N 3.07Å; K288-F292 WeakPolarHBondContact O-CB 3.31Å; K288-F292 PolarHBondContact O-N 3.47Å |
| 289 | A | 93.4 | Very high | 91 | Very high | 40 Ų | 40 | 80.2 Ų | 80.2 | 33% | 0.331 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -71.4 | -37.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | V285 K286 R287 F292 S293 | V285-A289 WeakPolarHBondContact O-CB 3.13Å; V285-A289 PolarHBondContact O-N 2.97Å; K286-A289 WeakPolarHBondContact O-CB 3.48Å; K286-A289 PolarHBondContact O-N 3.4Å; K286-A289 VanDerWaalsContact O-N 3.15Å; R287-A289 VanDerWaalsContact C-N 3.25Å; R287-A289 PolarHBondContact O-N 3.26Å; A289-F292 PolarHBondContact O-N 2.88Å; A289-S293 PolarHBondContact O-N 2.92Å; A289-S293 PolarHBondContact O-OG 2.81Å |
| 290 | G | 93.6 | Very high | 91.3 | Very high | 33 Ų | 33 | 76.6 Ų | 76.6 | 34% | 0.34 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -59.2 | -56.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | K286 R287 F292 S293 D294 | K286-G290 PolarHBondContact O-N 3.26Å; R287-G290 WeakPolarHBondContact O-CA 3.36Å; R287-G290 PolarHBondContact O-N 3.21Å; G290-F292 PolarHBondContact O-N 3.06Å; G290-F292 VanDerWaalsContact O-N 3.11Å; G290-S293 WeakPolarHBondContact O-CA 3.46Å; G290-S293 VanDerWaalsContact O-CB 3.28Å; G290-S293 WeakPolarHBondContact O-CB 3.29Å; G290-S293 PolarHBondContact O-N 3.35Å; G290-D294 PolarHBondContact O-N 2.91Å |
| 291 | E | 93.9 | Very high | 91.2 | Very high | 83 Ų | 83 | 78.5 Ų | 78.5 | 39% | 0.388 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -54.3 | -35.9 | 176.5 | -66.8 | 168.4 | -151.2 | 0 | 0 | 112.8 | R287 K295 | R287-E291 IonicContact NE-OE1 3.48Å; R287-E291 WeakPolarHBondContact O-CG 3.36Å; R287-E291 PolarHBondContact O-N 2.89Å; E291-K295 VanDerWaalsContact O-CG 3.31Å; E291-K295 WeakPolarHBondContact O-CG 3.35Å; E291-K295 PolarHBondContact O-N 2.84Å |
| 292 | F | 95 | Very high | 91.2 | Very high | 15 Ų | 15 | 76.8 Ų | 76.8 | 7% | 0.066 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -70.1 | -36.5 | 175.6 | -172.1 | -97.4 | 0 | 0 | 0 | 112.1 | L206 Q209 L210 L213 K288 A289 G290 K295 L296 | L206-F292 HydrophobicContact CD2-CE2 4.14Å; L206-F292 WeakPolarHBondContact O-CE2 3.45Å; L206-F292 WeakPolarHBondContact O-CZ 3.09Å; Q209-F292 HydrophobicContact CB-CD2 4.12Å; Q209-F292 HydrophobicContact CB-CE2 3.75Å; L210-F292 HydrophobicContact CB-CE1 4.27Å; L210-F292 HydrophobicContact CB-CZ 3.91Å; L210-F292 HydrophobicContact CD1-CD1 4.29Å; L210-F292 HydrophobicContact CD1-CE1 3.83Å; L210-F292 HydrophobicContact CD1-CZ 4.33Å; L210-F292 HydrophobicContact CG-CE1 4.47Å; L213-F292 HydrophobicContact CD1-CB 4.02Å; L213-F292 HydrophobicContact CD1-CG 4.19Å; K288-F292 WeakPolarHBondContact O-CB 3.31Å; K288-F292 PolarHBondContact O-N 3.47Å; A289-F292 PolarHBondContact O-N 2.88Å; G290-F292 PolarHBondContact O-N 3.06Å; G290-F292 VanDerWaalsContact O-N 3.11Å; F292-K295 WeakPolarHBondContact O-CB 2.99Å; F292-K295 PolarHBondContact O-N 3.33Å; F292-L296 HydrophobicContact CD1-CD1 4.02Å; F292-L296 HydrophobicContact CD1-CG 4.16Å; F292-L296 HydrophobicContact CE1-CD1 3.69Å; F292-L296 HydrophobicContact CE1-CD2 4.08Å; F292-L296 HydrophobicContact CE1-CG 3.87Å; F292-L296 HydrophobicContact CZ-CD2 4.23Å; F292-L296 HydrophobicContact CZ-CG 4.44Å; F292-L296 WeakPolarHBondContact O-CG 3.07Å; F292-L296 PolarHBondContact O-N 2.52Å |
| 293 | S | 93.4 | Very high | 91.3 | Very high | 62 Ų | 62 | 77.1 Ų | 77.1 | 43% | 0.434 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -65.4 | -41 | 177.3 | -57.7 | 0 | 0 | 0 | 0 | 111 | A289 G290 K295 L296 L297 | A289-S293 PolarHBondContact O-N 2.92Å; A289-S293 PolarHBondContact O-OG 2.81Å; G290-S293 WeakPolarHBondContact O-CA 3.46Å; G290-S293 VanDerWaalsContact O-CB 3.28Å; G290-S293 WeakPolarHBondContact O-CB 3.29Å; G290-S293 PolarHBondContact O-N 3.35Å; S293-K295 VanDerWaalsContact C-N 3.34Å; S293-K295 PolarHBondContact O-N 2.83Å; S293-L296 WeakPolarHBondContact O-CB 3.2Å; S293-L296 PolarHBondContact O-N 3.05Å; S293-L296 VanDerWaalsContact O-N 3.08Å; S293-L297 PolarHBondContact O-N 2.89Å |
| 294 | D | 92.2 | Very high | 90.9 | Very high | 94 Ų | 94 | 76.1 Ų | 76.1 | 50% | 0.503 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -64.2 | -38.4 | 175.4 | -57.7 | -32.4 | 0 | 0 | 0 | 112.2 | G290 L296 L297 S298 | G290-D294 PolarHBondContact O-N 2.91Å; D294-L296 VanDerWaalsContact C-N 3.31Å; D294-L296 PolarHBondContact O-N 2.89Å; D294-L297 PolarHBondContact O-N 2.87Å; D294-S298 WeakPolarHBondContact O-CB 3.48Å; D294-S298 PolarHBondContact O-N 2.94Å; D294-S298 PolarHBondContact O-OG 3Å |
| 295 | K | 91.7 | Very high | 90.6 | Very high | 92 Ų | 92 | 75 Ų | 75 | 40% | 0.4 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.9 | -38 | 172.2 | -72.3 | 167.8 | -174.5 | 164.5 | 0 | 111.9 | E291 F292 S293 L299 | E291-K295 VanDerWaalsContact O-CG 3.31Å; E291-K295 WeakPolarHBondContact O-CG 3.35Å; E291-K295 PolarHBondContact O-N 2.84Å; F292-K295 WeakPolarHBondContact O-CB 2.99Å; F292-K295 PolarHBondContact O-N 3.33Å; S293-K295 VanDerWaalsContact C-N 3.34Å; S293-K295 PolarHBondContact O-N 2.83Å; K295-L299 WeakPolarHBondContact O-CB 3.31Å; K295-L299 PolarHBondContact O-N 2.8Å |
| 296 | L | 92.1 | Very high | 90.4 | Very high | 65 Ų | 65 | 80.7 Ų | 80.7 | 34% | 0.34 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -68.7 | -42.8 | 176.7 | -69.7 | -178.4 | 0 | 0 | 0 | 111.9 | F292 S293 D294 S298 L299 Q300 | F292-L296 HydrophobicContact CD1-CD1 4.02Å; F292-L296 HydrophobicContact CD1-CG 4.16Å; F292-L296 HydrophobicContact CE1-CD1 3.69Å; F292-L296 HydrophobicContact CE1-CD2 4.08Å; F292-L296 HydrophobicContact CE1-CG 3.87Å; F292-L296 HydrophobicContact CZ-CD2 4.23Å; F292-L296 HydrophobicContact CZ-CG 4.44Å; F292-L296 WeakPolarHBondContact O-CG 3.07Å; F292-L296 PolarHBondContact O-N 2.52Å; S293-L296 WeakPolarHBondContact O-CB 3.2Å; S293-L296 PolarHBondContact O-N 3.05Å; S293-L296 VanDerWaalsContact O-N 3.08Å; D294-L296 VanDerWaalsContact C-N 3.31Å; D294-L296 PolarHBondContact O-N 2.89Å; L296-S298 VanDerWaalsContact C-N 3.33Å; L296-L299 WeakPolarHBondContact O-CB 3.44Å; L296-L299 PolarHBondContact O-N 2.95Å; L296-Q300 WeakPolarHBondContact O-CB 3.41Å; L296-Q300 WeakPolarHBondContact O-CG 3.48Å; L296-Q300 PolarHBondContact O-N 3.5Å |
| 297 | L | 88.7 | Confident | 89.9 | Confident | 96 Ų | 96 | 79.5 Ų | 79.5 | 50% | 0.503 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -61 | -44.2 | 174.1 | -69.8 | 172.6 | 0 | 0 | 0 | 111 | S293 D294 L299 Q300 R301 | S293-L297 PolarHBondContact O-N 2.89Å; D294-L297 PolarHBondContact O-N 2.87Å; L297-L299 PolarHBondContact O-N 2.8Å; L297-Q300 PolarHBondContact O-N 2.66Å; L297-R301 WeakPolarHBondContact O-CB 3.25Å; L297-R301 PolarHBondContact O-N 3.27Å |
| 298 | S | 88.7 | Confident | 89.3 | Confident | 71 Ų | 71 | 72.9 Ų | 72.9 | 50% | 0.497 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.1 | -41.6 | 175.2 | -64 | 0 | 0 | 0 | 0 | 112.5 | D294 L296 G302 | D294-S298 WeakPolarHBondContact O-CB 3.48Å; D294-S298 PolarHBondContact O-N 2.94Å; D294-S298 PolarHBondContact O-OG 3Å; L296-S298 VanDerWaalsContact C-N 3.33Å; S298-G302 PolarHBondContact O-N 2.86Å |
| 299 | L | 91.1 | Very high | 89 | Confident | 68 Ų | 68 | 74.1 Ų | 74.1 | 36% | 0.356 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63 | -49.3 | 174.6 | 174.6 | 70.4 | 0 | 0 | 0 | 111.5 | L206 K295 L296 L297 R301 G302 L303 | L206-L299 HydrophobicContact CD1-CD2 3.61Å; K295-L299 WeakPolarHBondContact O-CB 3.31Å; K295-L299 PolarHBondContact O-N 2.8Å; L296-L299 WeakPolarHBondContact O-CB 3.44Å; L296-L299 PolarHBondContact O-N 2.95Å; L297-L299 PolarHBondContact O-N 2.8Å; L299-R301 VanDerWaalsContact C-N 3.32Å; L299-R301 PolarHBondContact O-N 2.87Å; L299-G302 PolarHBondContact O-N 3.17Å; L299-L303 HydrophobicContact CD1-CD1 3.86Å; L299-L303 HydrophobicContact CD1-CG 4.03Å; L299-L303 HydrophobicContact CG-CD1 3.98Å; L299-L303 HydrophobicContact CG-CG 4.43Å; L299-L303 WeakPolarHBondContact O-CB 3.41Å; L299-L303 WeakPolarHBondContact O-CG 3.14Å; L299-L303 PolarHBondContact O-N 2.86Å |
| 300 | Q | 87.7 | Confident | 88.7 | Confident | 110 Ų | 110 | 75.1 Ų | 75.1 | 51% | 0.514 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -59.2 | -45.8 | 179.7 | -75.1 | 178.5 | -6.4 | 0 | 0 | 110.9 | L296 L297 R304 | L296-Q300 WeakPolarHBondContact O-CB 3.41Å; L296-Q300 WeakPolarHBondContact O-CG 3.48Å; L296-Q300 PolarHBondContact O-N 3.5Å; L297-Q300 PolarHBondContact O-N 2.66Å; Q300-R304 WeakPolarHBondContact O-CB 3.41Å; Q300-R304 VanDerWaalsContact O-CG 3.3Å; Q300-R304 WeakPolarHBondContact O-CG 3.28Å; Q300-R304 PolarHBondContact O-N 3.19Å |
| 301 | R | 84.6 | Confident | 88.2 | Confident | 102 Ų | 102 | 75.9 Ų | 75.9 | 39% | 0.385 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -56.3 | -59 | 173.8 | -169.2 | -171.7 | -55.3 | -172.6 | -2.2 | 110.1 | L297 L299 L303 R304 Q305 | L297-R301 WeakPolarHBondContact O-CB 3.25Å; L297-R301 PolarHBondContact O-N 3.27Å; L299-R301 VanDerWaalsContact C-N 3.32Å; L299-R301 PolarHBondContact O-N 2.87Å; R301-L303 VanDerWaalsContact C-N 3.33Å; R301-L303 PolarHBondContact O-N 2.83Å; R301-R304 PolarHBondContact O-N 3Å; R301-R304 VanDerWaalsContact O-N 3.12Å; R301-Q305 HydrophobicContact CG-CG 4.42Å; R301-Q305 VanDerWaalsContact O-CG 3.23Å; R301-Q305 WeakPolarHBondContact O-CG 3.44Å; R301-Q305 PolarHBondContact O-N 3.22Å |
| 302 | G | 88.5 | Confident | 87.8 | Confident | 34 Ų | 34 | 73 Ų | 73 | 35% | 0.351 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -57.5 | -39.9 | -177 | 0 | 0 | 0 | 0 | 0 | 114 | S298 L299 F306 | S298-G302 PolarHBondContact O-N 2.86Å; L299-G302 PolarHBondContact O-N 3.17Å; G302-F306 VanDerWaalsContact O-CB 3.27Å; G302-F306 WeakPolarHBondContact O-CB 3.47Å; G302-F306 PolarHBondContact O-N 2.87Å |
| 303 | L | 88.1 | Confident | 87.5 | Confident | 74 Ų | 74 | 77.2 Ų | 77.2 | 39% | 0.387 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -68.6 | -40.9 | 176.9 | -72.5 | 177.5 | 0 | 0 | 0 | 112.7 | L199 L299 R301 F306 Q307 | L199-L303 HydrophobicContact CD2-CD2 4.04Å; L299-L303 HydrophobicContact CD1-CD1 3.86Å; L299-L303 HydrophobicContact CD1-CG 4.03Å; L299-L303 HydrophobicContact CG-CD1 3.98Å; L299-L303 HydrophobicContact CG-CG 4.43Å; L299-L303 WeakPolarHBondContact O-CB 3.41Å; L299-L303 WeakPolarHBondContact O-CG 3.14Å; L299-L303 PolarHBondContact O-N 2.86Å; R301-L303 VanDerWaalsContact C-N 3.33Å; R301-L303 PolarHBondContact O-N 2.83Å; L303-F306 PolarHBondContact O-N 2.8Å; L303-Q307 WeakPolarHBondContact O-CB 3.49Å; L303-Q307 PolarHBondContact O-N 2.55Å |
| 304 | R | 82.6 | Confident | 87.3 | Confident | 121 Ų | 121 | 80 Ų | 80 | 46% | 0.457 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.9 | -44.2 | 176.1 | -74.6 | 179.2 | -178.9 | -140.9 | 2.6 | 111.7 | Q300 R301 Q307 G308 | Q300-R304 WeakPolarHBondContact O-CB 3.41Å; Q300-R304 VanDerWaalsContact O-CG 3.3Å; Q300-R304 WeakPolarHBondContact O-CG 3.28Å; Q300-R304 PolarHBondContact O-N 3.19Å; R301-R304 PolarHBondContact O-N 3Å; R301-R304 VanDerWaalsContact O-N 3.12Å; R304-Q307 PolarHBondContact O-N 2.99Å; R304-G308 PolarHBondContact O-N 3.39Å |
| 305 | Q | 85.2 | Confident | 87.2 | Confident | 60 Ų | 60 | 79.9 Ų | 79.9 | 28% | 0.28 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.2 | -45.7 | 176.4 | -64.7 | -176.4 | -23.4 | 0 | 0 | 111.3 | R301 G308 K309 S513 Q514 | R301-Q305 HydrophobicContact CG-CG 4.42Å; R301-Q305 VanDerWaalsContact O-CG 3.23Å; R301-Q305 WeakPolarHBondContact O-CG 3.44Å; R301-Q305 PolarHBondContact O-N 3.22Å; Q305-G308 PolarHBondContact O-N 3.16Å; Q305-K309 WeakPolarHBondContact O-CB 3.47Å; Q305-K309 PolarHBondContact O-N 2.85Å; Q305-S513 WeakPolarHBondContact CB-O 3.24Å; Q305-S513 WeakPolarHBondContact CG-O 3.47Å; Q305-S513 PolarHBondContact NE2-O 3.34Å; Q305-S513 VanDerWaalsContact NE2-O 3.12Å; Q305-Q514 HydrophobicContact CB-CB 4.19Å |
| 306 | F | 86.8 | Confident | 87.3 | Confident | 127 Ų | 127 | 76.7 Ų | 76.7 | 56% | 0.557 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -60.4 | -46.3 | 175.7 | 177.3 | -103.6 | 0 | 0 | 0 | 111.7 | G302 L303 K309 L310 | G302-F306 VanDerWaalsContact O-CB 3.27Å; G302-F306 WeakPolarHBondContact O-CB 3.47Å; G302-F306 PolarHBondContact O-N 2.87Å; L303-F306 PolarHBondContact O-N 2.8Å; F306-K309 PolarHBondContact O-N 3.25Å; F306-L310 HydrophobicContact CE1-CD2 4.06Å; F306-L310 HydrophobicContact CZ-CD2 4.14Å; F306-L310 VanDerWaalsContact O-CB 3.24Å; F306-L310 WeakPolarHBondContact O-CB 3.5Å; F306-L310 PolarHBondContact O-N 3.12Å |
| 307 | Q | 83.8 | Confident | 87.3 | Confident | 101 Ų | 101 | 80.9 Ų | 80.9 | 47% | 0.472 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -60.9 | -48.2 | 177.6 | -178.8 | -179.1 | -3 | 0 | 0 | 111.7 | L303 R304 L310 L311 | L303-Q307 WeakPolarHBondContact O-CB 3.49Å; L303-Q307 PolarHBondContact O-N 2.55Å; R304-Q307 PolarHBondContact O-N 2.99Å; Q307-L310 PolarHBondContact O-N 2.77Å; Q307-L311 HydrophobicContact CG-CD1 4.08Å; Q307-L311 WeakPolarHBondContact O-CB 3.26Å; Q307-L311 WeakPolarHBondContact O-CG 3.42Å; Q307-L311 PolarHBondContact O-N 2.94Å |
| 308 | G | 80.9 | Confident | 87.6 | Confident | 3 Ų | 3 | 80.5 Ų | 80.5 | 3% | 0.031 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -58.1 | -51 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | R304 Q305 L310 L311 R312 | R304-G308 PolarHBondContact O-N 3.39Å; Q305-G308 PolarHBondContact O-N 3.16Å; G308-L310 PolarHBondContact O-N 3.18Å; G308-L311 PolarHBondContact O-N 3.46Å; G308-R312 WeakPolarHBondContact O-CG 3.45Å; G308-R312 PolarHBondContact O-N 3.37Å; G308-R312 VanDerWaalsContact O-N 3.09Å |
| 309 | K | 86.5 | Confident | 87.9 | Confident | 106 Ų | 106 | 78.5 Ų | 78.5 | 46% | 0.461 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -57.5 | -49 | 176.9 | -173.5 | 171.5 | -179.1 | 176.6 | 0 | 112.9 | Q305 F306 L311 R312 D313 Q514 | Q305-K309 WeakPolarHBondContact O-CB 3.47Å; Q305-K309 PolarHBondContact O-N 2.85Å; F306-K309 PolarHBondContact O-N 3.25Å; K309-L311 VanDerWaalsContact C-N 3.35Å; K309-L311 PolarHBondContact O-N 2.88Å; K309-R312 PolarHBondContact O-N 2.91Å; K309-D313 WeakPolarHBondContact O-CB 3.33Å; K309-D313 VanDerWaalsContact O-CG 3.32Å; K309-D313 PolarHBondContact O-N 2.75Å; K309-Q514 HydrophobicContact CB-CB 4.47Å; K309-Q514 VanDerWaalsContact CB-OE1 3.26Å |
| 310 | L | 87.4 | Confident | 88 | Confident | 61 Ų | 61 | 79 Ų | 79 | 32% | 0.319 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.4 | -42.4 | -177.8 | -169.2 | 69.4 | 0 | 0 | 0 | 111.7 | F306 Q307 G308 L314 | F306-L310 HydrophobicContact CE1-CD2 4.06Å; F306-L310 HydrophobicContact CZ-CD2 4.14Å; F306-L310 VanDerWaalsContact O-CB 3.24Å; F306-L310 WeakPolarHBondContact O-CB 3.5Å; F306-L310 PolarHBondContact O-N 3.12Å; Q307-L310 PolarHBondContact O-N 2.77Å; G308-L310 PolarHBondContact O-N 3.18Å; L310-L314 HydrophobicContact CD1-CD1 3.41Å; L310-L314 VanDerWaalsContact CD1-CD1 3.41Å; L310-L314 HydrophobicContact CD1-CG 3.91Å; L310-L314 HydrophobicContact CD2-CD1 4.49Å; L310-L314 HydrophobicContact CG-CD1 3.74Å; L310-L314 HydrophobicContact CG-CG 4.29Å; L310-L314 VanDerWaalsContact O-CB 3.26Å; L310-L314 WeakPolarHBondContact O-CB 3.49Å; L310-L314 WeakPolarHBondContact O-CG 3.41Å; L310-L314 PolarHBondContact O-N 3.07Å |
| 311 | L | 83.9 | Confident | 88.4 | Confident | 49 Ų | 49 | 74.2 Ų | 74.2 | 26% | 0.257 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -59.8 | -50.4 | 175.8 | -77.6 | 170.8 | 0 | 0 | 0 | 110.9 | Q307 G308 K309 D313 E315 Y316 | Q307-L311 HydrophobicContact CG-CD1 4.08Å; Q307-L311 WeakPolarHBondContact O-CB 3.26Å; Q307-L311 WeakPolarHBondContact O-CG 3.42Å; Q307-L311 PolarHBondContact O-N 2.94Å; G308-L311 PolarHBondContact O-N 3.46Å; K309-L311 VanDerWaalsContact C-N 3.35Å; K309-L311 PolarHBondContact O-N 2.88Å; L311-D313 PolarHBondContact O-N 3.14Å; L311-E315 HydrophobicContact CD2-CG 4.35Å; L311-E315 WeakPolarHBondContact CD2-OE1 3.15Å; L311-E315 WeakPolarHBondContact O-CB 3.33Å; L311-E315 PolarHBondContact O-N 3.38Å; L311-Y316 HydrophobicContact CB-CE2 4.38Å; L311-Y316 WeakPolarHBondContact O-CD2 3.49Å |
| 312 | R | 85.6 | Confident | 89 | Confident | 23 Ų | 23 | 71.2 Ų | 71.2 | 9% | 0.087 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59.6 | -48.4 | 179.7 | -65.4 | -158.7 | -38.1 | -62.8 | -29.1 | 112.4 | G308 K309 Y316 Y375 Q514 | G308-R312 WeakPolarHBondContact O-CG 3.45Å; G308-R312 PolarHBondContact O-N 3.37Å; G308-R312 VanDerWaalsContact O-N 3.09Å; K309-R312 PolarHBondContact O-N 2.91Å; R312-Y316 PolarHBondContact O-N 2.9Å; R312-Y375 VanDerWaalsContact CD-OH 3.25Å; R312-Y375 WeakPolarHBondContact CD-OH 3.1Å; R312-Y375 HydrophobicContact CG-CD2 4.33Å; R312-Y375 HydrophobicContact CG-CE2 4.14Å; R312-Y375 PolarHBondContact NE-OH 2.86Å; R312-Q514 VanDerWaalsContact NH2-CD 3.34Å |
| 313 | D | 88.4 | Confident | 89.4 | Confident | 103 Ų | 103 | 69.8 Ų | 69.8 | 55% | 0.551 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -73.7 | -29.7 | -173.2 | -67.3 | -7.2 | 0 | 0 | 0 | 112.9 | K309 L311 | K309-D313 WeakPolarHBondContact O-CB 3.33Å; K309-D313 VanDerWaalsContact O-CG 3.32Å; K309-D313 PolarHBondContact O-N 2.75Å; L311-D313 PolarHBondContact O-N 3.14Å |
| 314 | L | 89.6 | Confident | 89.8 | Confident | 121 Ų | 121 | 68.2 Ų | 68.2 | 63% | 0.634 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -99.8 | -31.1 | -175.9 | -62.9 | -172.1 | 0 | 0 | 0 | 114.6 | L310 | L310-L314 HydrophobicContact CD1-CD1 3.41Å; L310-L314 VanDerWaalsContact CD1-CD1 3.41Å; L310-L314 HydrophobicContact CD1-CG 3.91Å; L310-L314 HydrophobicContact CD2-CD1 4.49Å; L310-L314 HydrophobicContact CG-CD1 3.74Å; L310-L314 HydrophobicContact CG-CG 4.29Å; L310-L314 VanDerWaalsContact O-CB 3.26Å; L310-L314 WeakPolarHBondContact O-CB 3.49Å; L310-L314 WeakPolarHBondContact O-CG 3.41Å; L310-L314 PolarHBondContact O-N 3.07Å |
| 315 | E | 89.7 | Confident | 90.3 | Very high | 90 Ų | 90 | 65.2 Ų | 65.2 | 42% | 0.421 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -109.2 | -32.9 | -170.4 | -58.1 | -164.3 | -177.3 | 0 | 0 | 114.3 | L311 K373 | L311-E315 HydrophobicContact CD2-CG 4.35Å; L311-E315 WeakPolarHBondContact CD2-OE1 3.15Å; L311-E315 WeakPolarHBondContact O-CB 3.33Å; L311-E315 PolarHBondContact O-N 3.38Å; E315-K373 HydrophobicContact CB-CD 4.03Å; E315-K373 WeakPolarHBondContact O-CB 3.47Å; E315-K373 WeakPolarHBondContact O-CD 3.3Å; E315-K373 IonicContact OE2-NZ 3.42Å; E315-K373 PolarHBondContact OE2-NZ 3.08Å |
| 316 | Y | 92.5 | Very high | 90.6 | Very high | 26 Ų | 26 | 67.6 Ų | 67.6 | 10% | 0.102 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -103.4 | 141.9 | -170.7 | -64.2 | -88.1 | 0 | 0 | 0 | 112.1 | L311 R312 K373 A498 D500 | L311-Y316 HydrophobicContact CB-CE2 4.38Å; L311-Y316 WeakPolarHBondContact O-CD2 3.49Å; R312-Y316 PolarHBondContact O-N 2.9Å; Y316-K373 HydrophobicContact CD1-CB 3.64Å; Y316-K373 HydrophobicContact CD1-CG 4.47Å; Y316-K373 HydrophobicContact CE1-CB 3.95Å; Y316-K373 HydrophobicContact CE1-CD 4.43Å; Y316-K373 HydrophobicContact CE1-CG 4.31Å; Y316-K373 HydrophobicContact CG-CB 4.3Å; Y316-A498 HydrophobicContact CD1-CB 3.88Å; Y316-A498 HydrophobicContact CD2-CB 4.28Å; Y316-A498 HydrophobicContact CE1-CB 3.66Å; Y316-A498 HydrophobicContact CE2-CB 4.06Å; Y316-A498 HydrophobicContact CG-CB 4.21Å; Y316-D500 HydrophobicContact CE1-CB 4.22Å |
| 317 | K | 93.2 | Very high | 91 | Very high | 153 Ų | 153 | 61.6 Ų | 61.6 | 67% | 0.665 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91 | 116.7 | 169.2 | -176.7 | 179.7 | 178.7 | -179.5 | 0 | 109.7 | V319 K373 V374 Y375 | K317-V319 HydrophobicContact CG-CG1 4.47Å; K317-V319 PolarHBondContact O-N 2.98Å; K317-K373 PolarHBondContact N-O 3.14Å; K317-V374 WeakPolarHBondContact O-CA 3.43Å; K317-Y375 PolarHBondContact O-N 3.18Å |
| 318 | T | 94 | Very high | 91.4 | Very high | 87 Ų | 87 | 57.1 Ų | 57.1 | 53% | 0.534 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 128.3 | 170.7 | -53.8 | 0 | 0 | 0 | 0 | 111 | Y375 P545 | T318-Y375 CarbonylContact C-O 3.5Å; T318-Y375 WeakPolarHBondContact CA-O 3.48Å; T318-P545 WeakPolarHBondContact CG2-OXT 3.41Å |
| 319 | V | 94.8 | Very high | 92 | Very high | 29 Ų | 29 | 57 Ų | 57 | 18% | 0.176 | 30% | 0.298 | C | S | . | . | trans | -131.1 | 134.6 | -175.9 | -67.8 | 0 | 0 | 0 | 0 | 112.3 | K317 V321 F369 V374 Y375 W376 | K317-V319 HydrophobicContact CG-CG1 4.47Å; K317-V319 PolarHBondContact O-N 2.98Å; V319-V321 HydrophobicContact CG2-CG2 4.27Å; V319-V321 PolarHBondContact O-N 2.83Å; V319-F369 HydrophobicContact CG2-CE1 4.21Å; V319-F369 HydrophobicContact CG2-CZ 3.9Å; V319-V374 HydrophobicContact CG1-CB 4.32Å; V319-V374 HydrophobicContact CG1-CG1 4.03Å; V319-V374 HydrophobicContact CG2-CB 3.99Å; V319-V374 HydrophobicContact CG2-CG1 4.49Å; V319-Y375 WeakPolarHBondContact CG2-O 2.99Å; V319-Y375 PolarHBondContact N-O 3.32Å; V319-W376 HydrophobicContact CG2-CB 4.49Å; V319-W376 HydrophobicContact CG2-CE3 4.08Å | ||
| 320 | S | 94.9 | Very high | 92.3 | Very high | 80 Ų | 80 | 52.2 Ų | 52.2 | 56% | 0.559 | 28% | 0.279 | S | S | * | . | trans | -77.6 | 110.5 | 173 | -171.2 | 0 | 0 | 0 | 0 | 110.6 | K339 | S320-K339 PolarHBondContact OG-NZ 2.88Š| ||
| 321 | V | 95.2 | Very high | 92.5 | Very high | 8 Ų | 8 | 52.6 Ų | 52.6 | 5% | 0.048 | 28% | 0.276 | C | S | . | . | trans | -94 | 141.8 | 178.9 | 175.2 | 0 | 0 | 0 | 0 | 111.3 | V319 K339 W376 P530 L543 | V319-V321 HydrophobicContact CG2-CG2 4.27Å; V319-V321 PolarHBondContact O-N 2.83Å; V321-K339 WeakPolarHBondContact O-CD 3.18Å; V321-K339 WeakPolarHBondContact O-CE 3.27Å; V321-K339 PolarHBondContact O-NZ 2.8Å; V321-W376 HydrophobicContact CB-CG 4.43Å; V321-W376 HydrophobicContact CG2-CB 3.81Å; V321-W376 HydrophobicContact CG2-CD2 3.77Å; V321-W376 HydrophobicContact CG2-CE3 4.15Å; V321-W376 HydrophobicContact CG2-CG 3.59Å; V321-P530 HydrophobicContact CB-CG 4.45Å; V321-P530 HydrophobicContact CG1-CB 3.8Å; V321-P530 HydrophobicContact CG1-CG 3.53Å; V321-P530 HydrophobicContact CG2-CG 4Å; V321-L543 HydrophobicContact CB-CD1 4.28Å; V321-L543 HydrophobicContact CB-CD2 4.25Å; V321-L543 HydrophobicContact CG1-CD1 3.84Å; V321-L543 HydrophobicContact CG1-CD2 4.1Å; V321-L543 WeakPolarHBondContact O-CD1 3.33Å | ||
| 322 | T | 97.1 | Very high | 93 | Very high | 40 Ų | 40 | 50.9 Ų | 50.9 | 25% | 0.245 | 27% | 0.267 | C | S | . | . | trans | -125.9 | 153 | 171.2 | 43.8 | 0 | 0 | 0 | 0 | 109.8 | K339 G365 S366 | T322-K339 HydrophobicContact CG2-CD 4.05Å; T322-G365 CarbonylContact O-C 3.55Å; T322-G365 VanDerWaalsContact O-CA 3.3Å; T322-G365 WeakPolarHBondContact O-CA 3.35Å; T322-S366 PolarHBondContact O-N 2.84Å; T322-S366 PolarHBondContact O-OG 3.42Å; T322-S366 PolarHBondContact OG1-OG 3.38Å | ||
| 323 | L | 97.2 | Very high | 93.4 | Very high | 3 Ų | 3 | 54.5 Ų | 54.5 | 2% | 0.016 | 29% | 0.285 | C | S | . | . | B | Isolated β-bridge | trans | -81.8 | 149.8 | 178.9 | -60.6 | 174.4 | 0 | 0 | 0 | 111.6 | P325 L334 W338 V341 V363 L532 L543 | L323-P325 WeakPolarHBondContact O-CD 3.41Å; L323-L334 HydrophobicContact CB-CD1 4.24Å; L323-L334 HydrophobicContact CD1-CD2 3.73Å; L323-W338 HydrophobicContact CB-CB 4.41Å; L323-W338 WeakPolarHBondContact CB-O 3.34Å; L323-W338 WeakPolarHBondContact CG-O 3.27Å; L323-W338 PolarHBondContact N-O 2.75Å; L323-V341 HydrophobicContact CD1-CB 3.96Å; L323-V341 HydrophobicContact CD1-CG1 4.28Å; L323-V363 HydrophobicContact CB-CG2 4.09Å; L323-V363 HydrophobicContact CD1-CG1 4.28Å; L323-V363 HydrophobicContact CD2-CG1 4.05Å; L323-V363 HydrophobicContact CD2-CG2 4.25Å; L323-L532 HydrophobicContact CD1-CD1 4.29Å; L323-L532 HydrophobicContact CD2-CD1 3.78Å; L323-L532 HydrophobicContact CD2-CG 4.31Å; L323-L543 HydrophobicContact CD1-CD1 4.43Å; L323-L543 HydrophobicContact CD2-CD1 3.73Å; L323-L543 HydrophobicContact CG-CD1 3.69Å |
| 324 | D | 95.4 | Very high | 93.7 | Very high | 42 Ų | 42 | 50.5 Ų | 50.5 | 23% | 0.225 | 26% | 0.263 | C | S | . | . | trans | -92.3 | 106.8 | 172.8 | 176.4 | 14 | 0 | 0 | 0 | 110.1 | Q326 S327 A328 L364 | D324-Q326 PolarHBondContact O-N 3Å; D324-Q326 PolarHBondContact OD1-N 3.1Å; D324-S327 PolarHBondContact O-N 3.25Å; D324-S327 PolarHBondContact O-OG 2.78Å; D324-A328 PolarHBondContact O-N 2.81Å; D324-L364 PolarHBondContact N-O 3.46Å | ||
| 325 | P | 94.1 | Very high | 93.9 | Very high | 58 Ų | 58 | 46.2 Ų | 46.2 | 38% | 0.377 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -25.1 | -179.4 | 23.6 | -33 | 0 | 0 | 0 | 113.9 | L323 S327 A328 L334 W338 | L323-P325 WeakPolarHBondContact O-CD 3.41Å; P325-S327 PolarHBondContact O-N 3Å; P325-A328 PolarHBondContact O-N 3.42Å; P325-L334 HydrophobicContact CB-CD1 4.18Å; P325-W338 HydrophobicContact CB-CD2 4.49Å; P325-W338 HydrophobicContact CB-CE3 3.9Å; P325-W338 HydrophobicContact CB-CH2 3.77Å; P325-W338 HydrophobicContact CB-CZ2 4.38Å; P325-W338 HydrophobicContact CB-CZ3 3.52Å; P325-W338 HydrophobicContact CG-CD2 4.29Å; P325-W338 HydrophobicContact CG-CE3 4.19Å; P325-W338 HydrophobicContact CG-CH2 4.09Å; P325-W338 HydrophobicContact CG-CZ2 4.19Å; P325-W338 HydrophobicContact CG-CZ3 4.11Å |
| 326 | Q | 92 | Very high | 94.1 | Very high | 110 Ų | 110 | 51 Ų | 51 | 51% | 0.514 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -19.6 | 178.2 | -61.3 | -175.1 | 2 | 0 | 0 | 112.6 | D324 Q355 Q356 | D324-Q326 PolarHBondContact O-N 3Å; D324-Q326 PolarHBondContact OD1-N 3.1Å; Q326-Q355 CarbonylContact O-C 3.58Å; Q326-Q356 PolarHBondContact O-N 3.36Å |
| 327 | S | 94 | Very high | 94.2 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -24.4 | 177.5 | 76.1 | 0 | 0 | 0 | 0 | 113 | D324 P325 S329 Q356 F357 L364 | D324-S327 PolarHBondContact O-N 3.25Å; D324-S327 PolarHBondContact O-OG 2.78Å; P325-S327 PolarHBondContact O-N 3Å; S327-S329 PolarHBondContact O-N 2.88Å; S327-Q356 WeakPolarHBondContact O-CA 3.38Å; S327-F357 VanDerWaalsContact O-CD2 3.24Å; S327-F357 WeakPolarHBondContact O-CD2 3.26Å; S327-F357 PolarHBondContact O-N 2.74Å; S327-F357 VanDerWaalsContact O-N 3.17Å; S327-L364 PolarHBondContact OG-N 2.94Å |
| 328 | A | 93.9 | Very high | 94.3 | Very high | 7 Ų | 7 | 52 Ų | 52 | 6% | 0.058 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -64 | 131.9 | -171 | 0 | 0 | 0 | 0 | 0 | 112.4 | D324 P325 L334 Q356 V363 | D324-A328 PolarHBondContact O-N 2.81Å; P325-A328 PolarHBondContact O-N 3.42Å; A328-L334 HydrophobicContact CB-CD1 3.89Å; A328-L334 HydrophobicContact CB-CG 4.25Å; A328-Q356 VanDerWaalsContact O-CG 3.25Å; A328-Q356 WeakPolarHBondContact O-CG 3.49Å; A328-Q356 PolarHBondContact O-NE2 2.81Å; A328-V363 HydrophobicContact CB-CB 4.12Å; A328-V363 HydrophobicContact CB-CG2 3.74Å |
| 329 | S | 93.5 | Very high | 94.4 | Very high | 2 Ų | 2 | 49.5 Ų | 49.5 | 1% | 0.014 | 25% | 0.254 | C | S | . | . | trans | -56.5 | 148.6 | 172.1 | -174.1 | 0 | 0 | 0 | 0 | 112.6 | S327 Y331 L332 F357 E360 G362 | S327-S329 PolarHBondContact O-N 2.88Å; S329-Y331 PolarHBondContact O-N 2.94Å; S329-Y331 VanDerWaalsContact O-N 3.14Å; S329-Y331 WeakPolarHBondContact OG-CD2 3.17Å; S329-L332 WeakPolarHBondContact O-CB 3.47Å; S329-L332 PolarHBondContact O-N 2.82Å; S329-F357 WeakPolarHBondContact CA-O 3.48Å; S329-F357 PolarHBondContact OG-O 3.2Å; S329-E360 WeakPolarHBondContact CB-O 3.18Å; S329-E360 PolarHBondContact OG-O 3.44Å; S329-G362 PolarHBondContact N-O 3.2Å | ||
| 330 | G | 91.5 | Very high | 94.5 | Very high | 5 Ų | 5 | 49.1 Ų | 49.1 | 5% | 0.052 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -13.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | L332 Q348 | G330-L332 VanDerWaalsContact C-N 3.31Å; G330-Q348 PolarHBondContact O-N 2.94Å |
| 331 | Y | 92.2 | Very high | 94.5 | Very high | 68 Ų | 68 | 45.3 Ų | 45.3 | 27% | 0.267 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -11.9 | 172.2 | -63.4 | -71.1 | 0 | 0 | 0 | 113.9 | S329 Y343 T344 Y347 C359 | S329-Y331 PolarHBondContact O-N 2.94Å; S329-Y331 VanDerWaalsContact O-N 3.14Å; S329-Y331 WeakPolarHBondContact OG-CD2 3.17Å; Y331-Y343 HydrophobicContact CG-CE2 4.27Å; Y331-T344 PolarHBondContact O-N 3.33Å; Y331-T344 PolarHBondContact O-OG1 3.32Å; Y331-Y347 HydrophobicContact CD1-CD2 4.2Å; Y331-Y347 AromaticContact CD2-CD2 3.85Å; Y331-Y347 HydrophobicContact CD2-CD2 3.85Å; Y331-Y347 HydrophobicContact CD2-CE2 4.4Å; Y331-Y347 HydrophobicContact CE1-CD2 4Å; Y331-Y347 HydrophobicContact CE1-CG 4.37Å; Y331-Y347 AromaticContact CE2-CD2 3.62Å; Y331-Y347 HydrophobicContact CE2-CD2 3.62Å; Y331-Y347 HydrophobicContact CE2-CE2 4.24Å; Y331-Y347 HydrophobicContact CG-CD2 4.12Å; Y331-Y347 AromaticContact CZ-CD2 3.7Å; Y331-C359 WeakPolarHBondContact CE2-O 3.41Å |
| 332 | L | 93.9 | Very high | 94.5 | Very high | 13 Ų | 13 | 46.7 Ų | 46.7 | 7% | 0.068 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 140.3 | -174.6 | -63 | 177.9 | 0 | 0 | 0 | 111.2 | S329 G330 V341 T342 Y343 P361 G362 V363 L534 | S329-L332 WeakPolarHBondContact O-CB 3.47Å; S329-L332 PolarHBondContact O-N 2.82Å; G330-L332 VanDerWaalsContact C-N 3.31Å; L332-V341 HydrophobicContact CB-CG2 3.98Å; L332-V341 HydrophobicContact CD1-CG2 3.84Å; L332-V341 HydrophobicContact CD2-CG2 3.73Å; L332-V341 HydrophobicContact CG-CG2 4.06Å; L332-T342 WeakPolarHBondContact CA-O 3.36Å; L332-Y343 HydrophobicContact CD2-CD2 4.27Å; L332-P361 WeakPolarHBondContact CD1-O 3.46Å; L332-P361 HydrophobicContact CD2-CB 3.94Å; L332-P361 HydrophobicContact CG-CB 4.22Å; L332-G362 WeakPolarHBondContact CD1-O 3.21Å; L332-V363 HydrophobicContact CD1-CB 3.96Å; L332-V363 HydrophobicContact CD1-CG1 4.06Å; L332-L534 HydrophobicContact CD2-CB 4.17Å |
| 333 | H | 93.8 | Very high | 94.3 | Very high | 99 Ų | 99 | 46.9 Ų | 46.9 | 46% | 0.458 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 131.9 | 167.7 | 175.6 | -84.2 | 0 | 0 | 0 | 109.6 | V341 T342 T344 | H333-V341 WeakPolarHBondContact O-CA 3.09Å; H333-T342 WeakPolarHBondContact CB-OG1 3.45Å; H333-T342 PolarHBondContact N-O 2.92Å; H333-T342 PolarHBondContact O-N 2.79Å; H333-T342 PolarHBondContact O-OG1 2.84Å; H333-T344 HydrophobicContact CB-CG2 3.62Å |
| 334 | L | 94.8 | Very high | 93.9 | Very high | 19 Ų | 19 | 48.9 Ų | 48.9 | 10% | 0.099 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 145.7 | 180 | -56.4 | -174.3 | 0 | 0 | 0 | 110.8 | L323 P325 A328 W338 C340 V341 V363 | L323-L334 HydrophobicContact CB-CD1 4.24Å; L323-L334 HydrophobicContact CD1-CD2 3.73Å; P325-L334 HydrophobicContact CB-CD1 4.18Å; A328-L334 HydrophobicContact CB-CD1 3.89Å; A328-L334 HydrophobicContact CB-CG 4.25Å; L334-W338 HydrophobicContact CB-CE3 3.66Å; L334-W338 HydrophobicContact CB-CZ3 3.72Å; L334-W338 HydrophobicContact CD1-CE3 3.64Å; L334-W338 HydrophobicContact CD1-CZ3 3.89Å; L334-W338 HydrophobicContact CG-CE3 4.32Å; L334-W338 HydrophobicContact CG-CZ3 4.41Å; L334-C340 WeakPolarHBondContact CA-O 3.34Å; L334-V341 HydrophobicContact CD2-CB 3.65Å; L334-V341 HydrophobicContact CD2-CG2 3.71Å; L334-V363 HydrophobicContact CD1-CG2 4.39Å; L334-V363 HydrophobicContact CD2-CG2 4.45Å |
| 335 | S | 94.9 | Very high | 93.3 | Very high | 31 Ų | 31 | 48.9 Ų | 48.9 | 22% | 0.217 | 25% | 0.253 | C | S | . | . | trans | -68.8 | 160 | 171.3 | 56.1 | 0 | 0 | 0 | 0 | 112.6 | D337 W338 K339 C340 | S335-D337 WeakPolarHBondContact CB-OD1 3.47Å; S335-D337 PolarHBondContact O-N 2.94Å; S335-D337 PolarHBondContact OG-OD1 2.97Å; S335-W338 PolarHBondContact O-N 3Å; S335-K339 PolarHBondContact OG-N 3.14Å; S335-C340 PolarHBondContact N-O 3.04Å; S335-C340 WeakPolarHBondContact OG-CB 3.35Å; S335-C340 PolarHBondContact OG-N 3.34Å | ||
| 336 | E | 94.2 | Very high | 92.8 | Very high | 190 Ų | 190 | 53.2 Ų | 53.2 | 89% | 0.888 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -29.1 | -179.8 | -64.1 | -174.9 | 169.8 | 0 | 0 | 113.8 | W338 | E336-W338 VanDerWaalsContact C-N 3.32Å; E336-W338 PolarHBondContact O-NE1 3.47Å |
| 337 | D | 94 | Very high | 92.4 | Very high | 95 Ų | 95 | 51.7 Ų | 51.7 | 51% | 0.508 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -2.5 | 177.2 | 69.8 | -9.8 | 0 | 0 | 0 | 113.7 | S335 K339 | S335-D337 WeakPolarHBondContact CB-OD1 3.47Å; S335-D337 PolarHBondContact O-N 2.94Å; S335-D337 PolarHBondContact OG-OD1 2.97Å; D337-K339 HydrophobicContact CB-CG 4.28Å; D337-K339 PolarHBondContact O-N 3.21Å; D337-K339 WeakPolarHBondContact OD1-CB 3.36Å; D337-K339 PolarHBondContact OD1-N 3.47Å; D337-K339 WeakPolarHBondContact OD2-CB 3.34Å; D337-K339 WeakPolarHBondContact OD2-CG 3.44Å |
| 338 | W | 95.9 | Very high | 91.7 | Very high | 106 Ų | 106 | 56.7 Ų | 56.7 | 40% | 0.402 | 28% | 0.282 | S | S | . | . | S | Bend | trans | 58.4 | 30.8 | -177.2 | -44.2 | 105.8 | 0 | 0 | 0 | 113.7 | L323 P325 L334 S335 E336 | L323-W338 HydrophobicContact CB-CB 4.41Å; L323-W338 WeakPolarHBondContact CB-O 3.34Å; L323-W338 WeakPolarHBondContact CG-O 3.27Å; L323-W338 PolarHBondContact N-O 2.75Å; P325-W338 HydrophobicContact CB-CD2 4.49Å; P325-W338 HydrophobicContact CB-CE3 3.9Å; P325-W338 HydrophobicContact CB-CH2 3.77Å; P325-W338 HydrophobicContact CB-CZ2 4.38Å; P325-W338 HydrophobicContact CB-CZ3 3.52Å; P325-W338 HydrophobicContact CG-CD2 4.29Å; P325-W338 HydrophobicContact CG-CE3 4.19Å; P325-W338 HydrophobicContact CG-CH2 4.09Å; P325-W338 HydrophobicContact CG-CZ2 4.19Å; P325-W338 HydrophobicContact CG-CZ3 4.11Å; L334-W338 HydrophobicContact CB-CE3 3.66Å; L334-W338 HydrophobicContact CB-CZ3 3.72Å; L334-W338 HydrophobicContact CD1-CE3 3.64Å; L334-W338 HydrophobicContact CD1-CZ3 3.89Å; L334-W338 HydrophobicContact CG-CE3 4.32Å; L334-W338 HydrophobicContact CG-CZ3 4.41Å; S335-W338 PolarHBondContact O-N 3Å; E336-W338 VanDerWaalsContact C-N 3.32Å; E336-W338 PolarHBondContact O-NE1 3.47Å |
| 339 | K | 96.1 | Very high | 90.8 | Very high | 34 Ų | 34 | 58.1 Ų | 58.1 | 15% | 0.148 | 29% | 0.291 | C | S | . | . | trans | -106.2 | -20.1 | 178.8 | -65.8 | -66.4 | -164.8 | 152.6 | 0 | 113.7 | S320 V321 T322 S335 D337 L542 L543 | S320-K339 PolarHBondContact OG-NZ 2.88Å; V321-K339 WeakPolarHBondContact O-CD 3.18Å; V321-K339 WeakPolarHBondContact O-CE 3.27Å; V321-K339 PolarHBondContact O-NZ 2.8Å; T322-K339 HydrophobicContact CG2-CD 4.05Å; S335-K339 PolarHBondContact OG-N 3.14Å; D337-K339 HydrophobicContact CB-CG 4.28Å; D337-K339 PolarHBondContact O-N 3.21Å; D337-K339 WeakPolarHBondContact OD1-CB 3.36Å; D337-K339 PolarHBondContact OD1-N 3.47Å; D337-K339 WeakPolarHBondContact OD2-CB 3.34Å; D337-K339 WeakPolarHBondContact OD2-CG 3.44Å; K339-L542 CarbonylContact O-C 3.56Å; K339-L542 WeakPolarHBondContact O-CA 3.23Å; K339-L543 HydrophobicContact CD-CB 3.98Å; K339-L543 PolarHBondContact O-N 3.43Å | ||
| 340 | C | 95.8 | Very high | 89.6 | Confident | 21 Ų | 21 | 65.8 Ų | 65.8 | 14% | 0.142 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 141.4 | -177.8 | -176.2 | 0 | 0 | 0 | 0 | 110.4 | L334 S335 L541 L542 | L334-C340 WeakPolarHBondContact CA-O 3.34Å; S335-C340 PolarHBondContact N-O 3.04Å; S335-C340 WeakPolarHBondContact OG-CB 3.35Å; S335-C340 PolarHBondContact OG-N 3.34Å; C340-L541 CarbonylContact C-O 3.54Å; C340-L541 VanDerWaalsContact CA-O 3.29Å; C340-L541 WeakPolarHBondContact CA-O 3.47Å; C340-L542 HydrophobicContact CB-CG 4.43Å |
| 341 | V | 95.9 | Very high | 88.5 | Confident | 1 Ų | 1 | 70 Ų | 70 | 1% | 0.006 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 137 | 171.5 | 57.3 | 0 | 0 | 0 | 0 | 110 | L323 L332 H333 L334 V363 L532 R540 L541 | L323-V341 HydrophobicContact CD1-CB 3.96Å; L323-V341 HydrophobicContact CD1-CG1 4.28Å; L332-V341 HydrophobicContact CB-CG2 3.98Å; L332-V341 HydrophobicContact CD1-CG2 3.84Å; L332-V341 HydrophobicContact CD2-CG2 3.73Å; L332-V341 HydrophobicContact CG-CG2 4.06Å; H333-V341 WeakPolarHBondContact O-CA 3.09Å; L334-V341 HydrophobicContact CD2-CB 3.65Å; L334-V341 HydrophobicContact CD2-CG2 3.71Å; V341-V363 HydrophobicContact CG2-CG1 4.27Å; V341-L532 HydrophobicContact CG1-CD1 3.76Å; V341-R540 CarbonylContact O-C 3.55Å; V341-R540 VanDerWaalsContact O-CA 3.23Å; V341-R540 WeakPolarHBondContact O-CA 3.38Å; V341-R540 WeakPolarHBondContact O-CB 3.44Å; V341-L541 HydrophobicContact CG1-CB 3.67Å; V341-L541 HydrophobicContact CG1-CD1 4.25Å; V341-L541 HydrophobicContact CG1-CG 4.37Å; V341-L541 PolarHBondContact N-O 3.48Å; V341-L541 PolarHBondContact O-N 3.08Å |
| 342 | T | 94.8 | Very high | 87.6 | Confident | 37 Ų | 37 | 72 Ų | 72 | 23% | 0.227 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 141.5 | -179.7 | 45.1 | 0 | 0 | 0 | 0 | 109.5 | L332 H333 R540 | L332-T342 WeakPolarHBondContact CA-O 3.36Å; H333-T342 WeakPolarHBondContact CB-OG1 3.45Å; H333-T342 PolarHBondContact N-O 2.92Å; H333-T342 PolarHBondContact O-N 2.79Å; H333-T342 PolarHBondContact O-OG1 2.84Å; T342-R540 HydrophobicContact CG2-CB 3.56Å |
| 343 | Y | 93.2 | Very high | 86.9 | Confident | 43 Ų | 43 | 75 Ų | 75 | 17% | 0.169 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 127.9 | 174.7 | 179.6 | -111.1 | 0 | 0 | 0 | 110.3 | Y331 L332 P361 L534 K535 P537 | Y331-Y343 HydrophobicContact CG-CE2 4.27Å; L332-Y343 HydrophobicContact CD2-CD2 4.27Å; Y343-P361 HydrophobicContact CD2-CB 3.89Å; Y343-P361 HydrophobicContact CD2-CG 4.47Å; Y343-P361 HydrophobicContact CE2-CB 3.87Å; Y343-P361 HydrophobicContact CE2-CG 4.23Å; Y343-L534 WeakPolarHBondContact CB-O 3.36Å; Y343-L534 WeakPolarHBondContact CD2-O 3.49Å; Y343-K535 HydrophobicContact CE1-CG 4.37Å; Y343-K535 HydrophobicContact CE2-CG 4.36Å; Y343-P537 HydrophobicContact CD1-CG 4.27Å; Y343-P537 HydrophobicContact CE1-CG 4.3Å |
| 344 | T | 88 | Confident | 86.4 | Confident | 46 Ų | 46 | 75.2 Ų | 75.2 | 28% | 0.282 | 40% | 0.401 | S | S | . | . | trans | -104.1 | -9.5 | -172.4 | 66.1 | 0 | 0 | 0 | 0 | 113.6 | Y331 H333 Q346 Q348 | Y331-T344 PolarHBondContact O-N 3.33Å; Y331-T344 PolarHBondContact O-OG1 3.32Å; H333-T344 HydrophobicContact CB-CG2 3.62Å; T344-Q346 PolarHBondContact O-N 2.77Å; T344-Q346 PolarHBondContact OG1-O 3.31Å; T344-Q348 VanDerWaalsContact CB-NE2 3.3Å; T344-Q348 PolarHBondContact OG1-NE2 2.8Å | ||
| 345 | G | 82.8 | Confident | 86 | Confident | 41 Ų | 41 | 78.3 Ų | 78.3 | 42% | 0.423 | 41% | 0.414 | S | S | . | . | S | Bend | trans | 69.4 | -22.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 346 | Q | 83 | Confident | 85.8 | Confident | 149 Ų | 149 | 77.4 Ų | 77.4 | 70% | 0.696 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -110.4 | 136.4 | 179.3 | -63.9 | -178.7 | 1 | 0 | 0 | 110 | T344 Q348 | T344-Q346 PolarHBondContact O-N 2.77Å; T344-Q346 PolarHBondContact OG1-O 3.31Å; Q346-Q348 WeakPolarHBondContact O-CG 3.22Å; Q346-Q348 PolarHBondContact O-N 2.72Å |
| 347 | Y | 84.8 | Confident | 85.6 | Confident | 78 Ų | 78 | 68.4 Ų | 68.4 | 31% | 0.306 | 37% | 0.365 | S | S | . | . | trans | -75 | 117 | 176.8 | -165.4 | -95.3 | 0 | 0 | 0 | 110.1 | Y331 S349 L352 | Y331-Y347 HydrophobicContact CD1-CD2 4.2Å; Y331-Y347 AromaticContact CD2-CD2 3.85Å; Y331-Y347 HydrophobicContact CD2-CD2 3.85Å; Y331-Y347 HydrophobicContact CD2-CE2 4.4Å; Y331-Y347 HydrophobicContact CE1-CD2 4Å; Y331-Y347 HydrophobicContact CE1-CG 4.37Å; Y331-Y347 AromaticContact CE2-CD2 3.62Å; Y331-Y347 HydrophobicContact CE2-CD2 3.62Å; Y331-Y347 HydrophobicContact CE2-CE2 4.24Å; Y331-Y347 HydrophobicContact CG-CD2 4.12Å; Y331-Y347 AromaticContact CZ-CD2 3.7Å; Y347-S349 WeakPolarHBondContact CE1-O 3.35Å; Y347-L352 WeakPolarHBondContact OH-CD2 3.37Å | ||
| 348 | Q | 78.3 | Confident | 85.3 | Confident | 106 Ų | 106 | 65.6 Ų | 65.6 | 50% | 0.495 | 35% | 0.349 | S | S | . | . | trans | -102.4 | -2.8 | -171 | -54.5 | -172 | -2 | 0 | 0 | 114.4 | G330 T344 Q346 | G330-Q348 PolarHBondContact O-N 2.94Å; T344-Q348 VanDerWaalsContact CB-NE2 3.3Å; T344-Q348 PolarHBondContact OG1-NE2 2.8Å; Q346-Q348 WeakPolarHBondContact O-CG 3.22Å; Q346-Q348 PolarHBondContact O-N 2.72Å | ||
| 349 | S | 75.8 | Confident | 84.7 | Confident | 36 Ų | 36 | 63.7 Ų | 63.7 | 25% | 0.252 | 35% | 0.352 | S | S | . | . | trans | -92.6 | 119.9 | -175.2 | -165.5 | 0 | 0 | 0 | 0 | 112 | Y347 C351 | Y347-S349 WeakPolarHBondContact CE1-O 3.35Å; S349-C351 PolarHBondContact O-N 3.15Å; S349-C351 PolarHBondContact OG-O 2.99Å | ||
| 350 | D | 67.4 | Low | 84.3 | Confident | 164 Ų | 164 | 64.3 Ų | 64.3 | 88% | 0.877 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -69.3 | -19.9 | 175.9 | -66.2 | -31.9 | 0 | 0 | 0 | 113 | ||
| 351 | C | 68.5 | Low | 84.2 | Confident | 92 Ų | 92 | 63.5 Ų | 63.5 | 62% | 0.622 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -141.4 | 131.6 | -175.9 | -72.4 | 0 | 0 | 0 | 0 | 111.2 | S349 L353 Q356 | S349-C351 PolarHBondContact O-N 3.15Å; S349-C351 PolarHBondContact OG-O 2.99Å; C351-L353 PolarHBondContact O-N 2.98Å; C351-Q356 PolarHBondContact O-OE1 3.43Å |
| 352 | L | 74.1 | Confident | 84.1 | Confident | 112 Ų | 112 | 63.4 Ų | 63.4 | 59% | 0.586 | 35% | 0.349 | S | S | * | . | trans | -75.3 | 104.2 | 175.3 | -75.4 | 162.1 | 0 | 0 | 0 | 110.3 | Y347 D358 | Y347-L352 WeakPolarHBondContact OH-CD2 3.37Å; L352-D358 HydrophobicContact CD2-CB 3.88Å | ||
| 353 | L | 78.4 | Confident | 84.2 | Confident | 76 Ų | 76 | 61.7 Ų | 61.7 | 40% | 0.398 | 34% | 0.338 | S | S | . | . | trans | -67.1 | 145.4 | 171.9 | -67.5 | 174 | 0 | 0 | 0 | 110.2 | C351 Q355 Q356 K455 | C351-L353 PolarHBondContact O-N 2.98Å; L353-Q355 PolarHBondContact O-N 2.82Å; L353-Q356 HydrophobicContact CB-CB 3.89Å; L353-Q356 PolarHBondContact O-N 3.46Å; L353-K455 PolarHBondContact O-NZ 2.87Å | ||
| 354 | P | 83.1 | Confident | 84.3 | Confident | 103 Ų | 103 | 59.8 Ų | 59.8 | 67% | 0.669 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -35 | 177.9 | -25.4 | 34 | 0 | 0 | 0 | 113.2 | ||
| 355 | Q | 86.3 | Confident | 84.8 | Confident | 84 Ų | 84 | 57.8 Ų | 57.8 | 39% | 0.393 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -13.8 | -177.4 | -65.4 | 83.1 | 1.1 | 0 | 0 | 114 | Q326 L353 R454 | Q326-Q355 CarbonylContact O-C 3.58Å; L353-Q355 PolarHBondContact O-N 2.82Å; Q355-R454 WeakPolarHBondContact O-CD 3.46Å; Q355-R454 PolarHBondContact O-NH1 2.97Å |
| 356 | Q | 90.7 | Very high | 85.3 | Confident | 12 Ų | 12 | 58.7 Ų | 58.7 | 6% | 0.056 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -78.4 | 145.9 | -174.3 | 164.2 | 169.2 | 60.3 | 0 | 0 | 111.8 | Q326 S327 A328 C351 L353 K455 | Q326-Q356 PolarHBondContact O-N 3.36Å; S327-Q356 WeakPolarHBondContact O-CA 3.38Å; A328-Q356 VanDerWaalsContact O-CG 3.25Å; A328-Q356 WeakPolarHBondContact O-CG 3.49Å; A328-Q356 PolarHBondContact O-NE2 2.81Å; C351-Q356 PolarHBondContact O-OE1 3.43Å; L353-Q356 HydrophobicContact CB-CB 3.89Å; L353-Q356 PolarHBondContact O-N 3.46Å; Q356-K455 VanDerWaalsContact O-CE 3.3Å; Q356-K455 WeakPolarHBondContact O-CE 3.42Å; Q356-K455 PolarHBondContact O-NZ 2.73Å |
| 357 | F | 91.4 | Very high | 85.9 | Confident | 1 Ų | 1 | 58.4 Ų | 58.4 | 0% | 0.004 | 32% | 0.316 | C | S | . | . | trans | -68.6 | 128.2 | 164.9 | -71 | -83.6 | 0 | 0 | 0 | 110.4 | S327 S329 E360 G362 L364 V452 R454 L458 F531 | S327-F357 VanDerWaalsContact O-CD2 3.24Å; S327-F357 WeakPolarHBondContact O-CD2 3.26Å; S327-F357 PolarHBondContact O-N 2.74Å; S327-F357 VanDerWaalsContact O-N 3.17Å; S329-F357 WeakPolarHBondContact CA-O 3.48Å; S329-F357 PolarHBondContact OG-O 3.2Å; F357-E360 VanDerWaalsContact CB-O 3.31Å; F357-E360 WeakPolarHBondContact CB-O 3.3Å; F357-G362 VanDerWaalsContact CD2-C 3.43Å; F357-G362 WeakPolarHBondContact CD2-O 3.22Å; F357-L364 HydrophobicContact CE2-CD1 4.49Å; F357-L364 HydrophobicContact CE2-CD2 4.24Å; F357-L364 HydrophobicContact CE2-CG 3.96Å; F357-L364 HydrophobicContact CZ-CD2 4.2Å; F357-L364 HydrophobicContact CZ-CG 4.32Å; F357-V452 HydrophobicContact CZ-CG1 4.08Å; F357-R454 WeakPolarHBondContact CA-O 3.43Å; F357-R454 HydrophobicContact CD1-CB 3.82Å; F357-R454 HydrophobicContact CD1-CG 4.23Å; F357-R454 HydrophobicContact CE1-CB 3.99Å; F357-R454 HydrophobicContact CE1-CG 3.91Å; F357-R454 HydrophobicContact CG-CB 4.28Å; F357-R454 HydrophobicContact CZ-CG 4.13Å; F357-L458 HydrophobicContact CD1-CD1 3.49Å; F357-L458 VanDerWaalsContact CD1-CD1 3.49Å; F357-L458 HydrophobicContact CE1-CD1 3.67Å; F357-F531 HydrophobicContact CE2-CE2 4.39Å; F357-F531 HydrophobicContact CZ-CD2 4.45Å; F357-F531 AromaticContact CZ-CE2 3.93Å; F357-F531 HydrophobicContact CZ-CE2 3.93Å | ||
| 358 | D | 86.9 | Confident | 86.4 | Confident | 35 Ų | 35 | 55.4 Ų | 55.4 | 19% | 0.187 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -87.7 | -52.6 | -174.6 | 58.5 | -7.5 | 0 | 0 | 0 | 113.9 | L352 R454 K455 G456 | L352-D358 HydrophobicContact CD2-CB 3.88Å; D358-R454 PolarHBondContact N-O 3.45Å; D358-K455 HydrophobicContact CB-CD 3.81Å; D358-K455 VanDerWaalsContact OD1-CA 3.24Å; D358-K455 WeakPolarHBondContact OD1-CA 3.31Å; D358-K455 VanDerWaalsContact OD2-CA 3.26Å; D358-K455 WeakPolarHBondContact OD2-CA 3.48Å; D358-K455 WeakPolarHBondContact OD2-CB 3.4Å; D358-K455 WeakPolarHBondContact OD2-CD 3.46Å; D358-G456 PolarHBondContact OD1-N 3.39Å; D358-G456 PolarHBondContact OD2-N 2.95Å |
| 359 | C | 83.7 | Confident | 87.3 | Confident | 67 Ų | 67 | 51.9 Ų | 51.9 | 45% | 0.453 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -97.2 | -43.3 | -176.6 | -60.2 | 0 | 0 | 0 | 0 | 111.5 | Y331 | Y331-C359 WeakPolarHBondContact CE2-O 3.41Š|
| 360 | E | 87.7 | Confident | 88.2 | Confident | 46 Ų | 46 | 53.1 Ų | 53.1 | 22% | 0.215 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -84.1 | 137.4 | -173.7 | -67.7 | -52.8 | 130.5 | 0 | 0 | 112 | S329 F357 G362 L458 W533 | S329-E360 WeakPolarHBondContact CB-O 3.18Å; S329-E360 PolarHBondContact OG-O 3.44Å; F357-E360 VanDerWaalsContact CB-O 3.31Å; F357-E360 WeakPolarHBondContact CB-O 3.3Å; E360-G362 PolarHBondContact O-N 3.17Å; E360-L458 HydrophobicContact CB-CD1 3.85Å; E360-L458 HydrophobicContact CG-CB 3.98Å; E360-L458 HydrophobicContact CG-CD1 3.63Å; E360-L458 HydrophobicContact CG-CG 3.88Å; E360-W533 WeakPolarHBondContact OE2-CZ2 3.37Å; E360-W533 PolarHBondContact OE2-NE1 3.45Å |
| 361 | P | 92.6 | Very high | 89.6 | Confident | 4 Ų | 4 | 54.3 Ų | 54.3 | 3% | 0.026 | 29% | 0.29 | C | S | . | . | trans | -78 | 60.2 | 176.2 | 34 | -37.8 | 0 | 0 | 0 | 111.7 | L332 Y343 W533 L534 K535 | L332-P361 WeakPolarHBondContact CD1-O 3.46Å; L332-P361 HydrophobicContact CD2-CB 3.94Å; L332-P361 HydrophobicContact CG-CB 4.22Å; Y343-P361 HydrophobicContact CD2-CB 3.89Å; Y343-P361 HydrophobicContact CD2-CG 4.47Å; Y343-P361 HydrophobicContact CE2-CB 3.87Å; Y343-P361 HydrophobicContact CE2-CG 4.23Å; P361-W533 HydrophobicContact CG-CD2 4.17Å; P361-W533 HydrophobicContact CG-CZ2 3.89Å; P361-W533 WeakPolarHBondContact O-CA 3.4Å; P361-L534 WeakPolarHBondContact CB-O 3.34Å; P361-L534 WeakPolarHBondContact CG-O 3.49Å; P361-L534 PolarHBondContact O-N 3.41Å; P361-K535 HydrophobicContact CG-CB 3.79Å; P361-K535 HydrophobicContact CG-CG 4.23Å | ||
| 362 | G | 94.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 156.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | S329 L332 F357 E360 L532 | S329-G362 PolarHBondContact N-O 3.2Å; L332-G362 WeakPolarHBondContact CD1-O 3.21Å; F357-G362 VanDerWaalsContact CD2-C 3.43Å; F357-G362 WeakPolarHBondContact CD2-O 3.22Å; E360-G362 PolarHBondContact O-N 3.17Å; G362-L532 CarbonylContact C-O 3.59Å; G362-L532 WeakPolarHBondContact CA-O 3.42Å |
| 363 | V | 96.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 144.8 | 171.8 | 60.8 | 0 | 0 | 0 | 0 | 110.5 | L323 A328 L332 L334 V341 L532 | L323-V363 HydrophobicContact CB-CG2 4.09Å; L323-V363 HydrophobicContact CD1-CG1 4.28Å; L323-V363 HydrophobicContact CD2-CG1 4.05Å; L323-V363 HydrophobicContact CD2-CG2 4.25Å; A328-V363 HydrophobicContact CB-CB 4.12Å; A328-V363 HydrophobicContact CB-CG2 3.74Å; L332-V363 HydrophobicContact CD1-CB 3.96Å; L332-V363 HydrophobicContact CD1-CG1 4.06Å; L334-V363 HydrophobicContact CD1-CG2 4.39Å; L334-V363 HydrophobicContact CD2-CG2 4.45Å; V341-V363 HydrophobicContact CG2-CG1 4.27Å; V363-L532 HydrophobicContact CG1-CB 3.87Å; V363-L532 PolarHBondContact N-O 3.38Å; V363-L532 PolarHBondContact O-N 3.37Å |
| 364 | L | 97.1 | Very high | 92.6 | Very high | 4 Ų | 4 | 45.6 Ų | 45.6 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 157.9 | 177 | -57.7 | 173.1 | 0 | 0 | 0 | 111.5 | D324 S327 F357 A448 V452 R454 V529 P530 F531 | D324-L364 PolarHBondContact N-O 3.46Å; S327-L364 PolarHBondContact OG-N 2.94Å; F357-L364 HydrophobicContact CE2-CD1 4.49Å; F357-L364 HydrophobicContact CE2-CD2 4.24Å; F357-L364 HydrophobicContact CE2-CG 3.96Å; F357-L364 HydrophobicContact CZ-CD2 4.2Å; F357-L364 HydrophobicContact CZ-CG 4.32Å; L364-A448 HydrophobicContact CD2-CB 4.18Å; L364-V452 HydrophobicContact CD1-CG1 4.32Å; L364-V452 HydrophobicContact CD2-CG1 4.15Å; L364-R454 VanDerWaalsContact CD1-NH2 3.33Å; L364-V529 HydrophobicContact CB-CG2 4.12Å; L364-V529 HydrophobicContact CD1-CG2 4.25Å; L364-V529 HydrophobicContact CD2-CG2 3.74Å; L364-V529 HydrophobicContact CG-CG2 4.24Å; L364-P530 CarbonylContact C-O 3.44Å; L364-P530 WeakPolarHBondContact CA-O 3.31Å; L364-F531 HydrophobicContact CD2-CB 4.4Å; L364-F531 HydrophobicContact CD2-CD2 3.75Å |
| 365 | G | 96.9 | Very high | 93.2 | Very high | 4 Ų | 4 | 40.9 Ų | 40.9 | 4% | 0.041 | 21% | 0.209 | C | C | . | . | B | Isolated β-bridge | trans | -74 | 145.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | T322 K367 P530 | T322-G365 CarbonylContact O-C 3.55Å; T322-G365 VanDerWaalsContact O-CA 3.3Å; T322-G365 WeakPolarHBondContact O-CA 3.35Å; G365-K367 VanDerWaalsContact C-N 3.26Å; G365-K367 PolarHBondContact O-N 2.96Å; G365-P530 PolarHBondContact N-O 2.81Å |
| 366 | S | 95 | Very high | 93.7 | Very high | 59 Ų | 59 | 37 Ų | 37 | 41% | 0.413 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -69.6 | -21.2 | -179.5 | 65.2 | 0 | 0 | 0 | 0 | 114.2 | T322 | T322-S366 PolarHBondContact O-N 2.84Å; T322-S366 PolarHBondContact O-OG 3.42Å; T322-S366 PolarHBondContact OG1-OG 3.38Å |
| 367 | K | 94.5 | Very high | 94 | Very high | 144 Ų | 144 | 37.8 Ų | 37.8 | 63% | 0.626 | 19% | 0.194 | S | C | * | . | S | Bend | trans | -120.4 | 126.5 | 179.8 | -70.1 | -178.4 | -177 | 171.3 | 0 | 109.2 | G365 P530 | G365-K367 VanDerWaalsContact C-N 3.26Å; G365-K367 PolarHBondContact O-N 2.96Å; K367-P530 WeakPolarHBondContact O-CD 3.37Å |
| 368 | G | 94.9 | Very high | 94.2 | Very high | 15 Ų | 15 | 37.8 Ų | 37.8 | 16% | 0.155 | 20% | 0.195 | C | C | . | . | trans | -106.9 | 158.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | R527 L528 | G368-R527 PolarHBondContact O-NH1 3.33Å; G368-L528 CarbonylContact C-O 3.47Å; G368-L528 VanDerWaalsContact C-O 3.3Å; G368-L528 WeakPolarHBondContact CA-O 3.2Å | ||
| 369 | F | 96.7 | Very high | 94.7 | Very high | 32 Ų | 32 | 37.2 Ų | 37.2 | 14% | 0.14 | 19% | 0.191 | C | C | . | . | B | Isolated β-bridge | trans | -111 | 140.5 | -175.4 | -50.9 | -80.6 | 0 | 0 | 0 | 110.4 | V319 V374 W376 L499 R527 L528 P530 | V319-F369 HydrophobicContact CG2-CE1 4.21Å; V319-F369 HydrophobicContact CG2-CZ 3.9Å; F369-V374 HydrophobicContact CD1-CB 4.35Å; F369-V374 HydrophobicContact CD1-CG1 3.91Å; F369-V374 HydrophobicContact CD1-CG2 3.81Å; F369-V374 HydrophobicContact CD2-CG2 4.1Å; F369-V374 HydrophobicContact CE1-CB 4.19Å; F369-V374 HydrophobicContact CE1-CG1 3.91Å; F369-V374 HydrophobicContact CE1-CG2 3.95Å; F369-V374 HydrophobicContact CE2-CG2 4.22Å; F369-V374 HydrophobicContact CG-CG2 3.89Å; F369-V374 HydrophobicContact CZ-CG2 4.15Å; F369-W376 HydrophobicContact CD2-CZ3 4.36Å; F369-W376 HydrophobicContact CE2-CE3 4.39Å; F369-W376 HydrophobicContact CE2-CH2 4.2Å; F369-W376 AromaticContact CE2-CZ3 3.78Å; F369-W376 HydrophobicContact CE2-CZ3 3.78Å; F369-W376 HydrophobicContact CZ-CZ3 4.33Å; F369-L499 HydrophobicContact CB-CD2 3.85Å; F369-L499 HydrophobicContact CD2-CD2 4.06Å; F369-L499 HydrophobicContact CG-CD2 4.23Å; F369-R527 WeakPolarHBondContact O-CA 3.49Å; F369-L528 PolarHBondContact N-O 2.9Å; F369-L528 PolarHBondContact O-N 3.19Å; F369-P530 HydrophobicContact CE2-CG 4.05Å |
| 370 | T | 96.2 | Very high | 95.2 | Very high | 62 Ų | 62 | 35.1 Ų | 35.1 | 38% | 0.38 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -132.2 | 5.9 | 176.4 | 61.2 | 0 | 0 | 0 | 0 | 112.3 | Y501 R527 | T370-Y501 VanDerWaalsContact C-CD1 3.41Å; T370-Y501 VanDerWaalsContact O-CD1 3.22Å; T370-Y501 WeakPolarHBondContact O-CD1 3.33Å; T370-Y501 WeakPolarHBondContact O-CE1 3.46Å; T370-R527 HydrophobicContact CG2-CB 3.62Å; T370-R527 HydrophobicContact CG2-CG 3.91Å |
| 371 | W | 95.3 | Very high | 95.3 | Very high | 188 Ų | 188 | 35.8 Ų | 35.8 | 71% | 0.712 | 18% | 0.178 | S | C | * | . | S | Bend | trans | -170.4 | 159.8 | -178.3 | 66.4 | -82.9 | 0 | 0 | 0 | 109.5 | E502 | W371-E502 WeakPolarHBondContact CA-OE1 3.49Å; W371-E502 WeakPolarHBondContact CB-OE1 3.26Å |
| 372 | G | 93.7 | Very high | 94.7 | Very high | 17 Ų | 17 | 40 Ų | 40 | 18% | 0.175 | 19% | 0.194 | C | C | . | . | S | Bend | trans | 83.8 | 173.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y501 E502 | G372-Y501 PolarHBondContact O-N 2.97Å; G372-E502 WeakPolarHBondContact CA-OE2 3.44Å; G372-E502 PolarHBondContact N-OE1 2.92Å; G372-E502 PolarHBondContact N-OE2 3.25Å |
| 373 | K | 96 | Very high | 93.1 | Very high | 67 Ų | 67 | 47.1 Ų | 47.1 | 29% | 0.291 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 113 | 172.8 | -64.8 | -170.6 | -180 | -154.2 | 0 | 109.6 | E315 Y316 K317 L499 D500 | E315-K373 HydrophobicContact CB-CD 4.03Å; E315-K373 WeakPolarHBondContact O-CB 3.47Å; E315-K373 WeakPolarHBondContact O-CD 3.3Å; E315-K373 IonicContact OE2-NZ 3.42Å; E315-K373 PolarHBondContact OE2-NZ 3.08Å; Y316-K373 HydrophobicContact CD1-CB 3.64Å; Y316-K373 HydrophobicContact CD1-CG 4.47Å; Y316-K373 HydrophobicContact CE1-CB 3.95Å; Y316-K373 HydrophobicContact CE1-CD 4.43Å; Y316-K373 HydrophobicContact CE1-CG 4.31Å; Y316-K373 HydrophobicContact CG-CB 4.3Å; K317-K373 PolarHBondContact N-O 3.14Å; K373-L499 CarbonylContact C-O 3.58Å; K373-L499 VanDerWaalsContact CA-O 3.29Å; K373-L499 WeakPolarHBondContact CA-O 3.45Å; K373-D500 VanDerWaalsContact CE-CG 3.45Å; K373-D500 WeakPolarHBondContact CE-OD2 3.34Å; K373-D500 HydrophobicContact CG-CB 4.2Å; K373-D500 IonicContact NZ-OD2 3.1Å; K373-D500 PolarHBondContact NZ-OD2 3.3Å |
| 374 | V | 95.7 | Very high | 90.9 | Very high | 13 Ų | 13 | 50.8 Ų | 50.8 | 8% | 0.079 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 150.2 | -177.3 | -66.7 | 0 | 0 | 0 | 0 | 111.6 | K317 V319 F369 W376 A498 L499 | K317-V374 WeakPolarHBondContact O-CA 3.43Å; V319-V374 HydrophobicContact CG1-CB 4.32Å; V319-V374 HydrophobicContact CG1-CG1 4.03Å; V319-V374 HydrophobicContact CG2-CB 3.99Å; V319-V374 HydrophobicContact CG2-CG1 4.49Å; F369-V374 HydrophobicContact CD1-CB 4.35Å; F369-V374 HydrophobicContact CD1-CG1 3.91Å; F369-V374 HydrophobicContact CD1-CG2 3.81Å; F369-V374 HydrophobicContact CD2-CG2 4.1Å; F369-V374 HydrophobicContact CE1-CB 4.19Å; F369-V374 HydrophobicContact CE1-CG1 3.91Å; F369-V374 HydrophobicContact CE1-CG2 3.95Å; F369-V374 HydrophobicContact CE2-CG2 4.22Å; F369-V374 HydrophobicContact CG-CG2 3.89Å; F369-V374 HydrophobicContact CZ-CG2 4.15Å; V374-W376 HydrophobicContact CG2-CE3 4.49Å; V374-W376 HydrophobicContact CG2-CZ3 3.89Å; V374-A498 WeakPolarHBondContact O-CA 3.49Å; V374-L499 HydrophobicContact CG2-CB 3.93Å; V374-L499 HydrophobicContact CG2-CD2 4.18Å; V374-L499 HydrophobicContact CG2-CG 4.35Å; V374-L499 PolarHBondContact N-O 3.28Å; V374-L499 PolarHBondContact O-N 2.93Å |
| 375 | Y | 95.6 | Very high | 88.6 | Confident | 5 Ų | 5 | 53.8 Ų | 53.8 | 2% | 0.02 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 141.6 | -179.9 | 176.5 | -100 | 0 | 0 | 0 | 111.3 | R312 K317 T318 V319 E377 G496 I497 A498 | R312-Y375 VanDerWaalsContact CD-OH 3.25Å; R312-Y375 WeakPolarHBondContact CD-OH 3.1Å; R312-Y375 HydrophobicContact CG-CD2 4.33Å; R312-Y375 HydrophobicContact CG-CE2 4.14Å; R312-Y375 PolarHBondContact NE-OH 2.86Å; K317-Y375 PolarHBondContact O-N 3.18Å; T318-Y375 CarbonylContact C-O 3.5Å; T318-Y375 WeakPolarHBondContact CA-O 3.48Å; V319-Y375 WeakPolarHBondContact CG2-O 2.99Å; V319-Y375 PolarHBondContact N-O 3.32Å; Y375-E377 HydrophobicContact CE1-CG 3.59Å; Y375-E377 WeakPolarHBondContact CE1-OE1 3.38Å; Y375-E377 VanDerWaalsContact OH-CG 3.23Å; Y375-E377 WeakPolarHBondContact OH-CG 3.36Å; Y375-E377 PolarHBondContact OH-OE1 3.45Å; Y375-E377 VanDerWaalsContact OH-OE1 3.05Å; Y375-G496 VanDerWaalsContact CE2-CA 3.44Å; Y375-G496 VanDerWaalsContact OH-CA 3.27Å; Y375-G496 WeakPolarHBondContact OH-CA 3.5Å; Y375-I497 VanDerWaalsContact CA-O 3.31Å; Y375-I497 WeakPolarHBondContact CA-O 3.47Å; Y375-I497 VanDerWaalsContact CD2-O 3.32Å; Y375-I497 WeakPolarHBondContact CD2-O 3.36Å; Y375-A498 HydrophobicContact CD2-CB 4Å |
| 376 | W | 96.1 | Very high | 85.8 | Confident | 1 Ų | 1 | 57 Ų | 57 | 0% | 0.004 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 166.3 | 168.4 | 65 | 92.2 | 0 | 0 | 0 | 109.9 | V319 V321 F369 V374 V447 I497 L499 P530 | V319-W376 HydrophobicContact CG2-CB 4.49Å; V319-W376 HydrophobicContact CG2-CE3 4.08Å; V321-W376 HydrophobicContact CB-CG 4.43Å; V321-W376 HydrophobicContact CG2-CB 3.81Å; V321-W376 HydrophobicContact CG2-CD2 3.77Å; V321-W376 HydrophobicContact CG2-CE3 4.15Å; V321-W376 HydrophobicContact CG2-CG 3.59Å; F369-W376 HydrophobicContact CD2-CZ3 4.36Å; F369-W376 HydrophobicContact CE2-CE3 4.39Å; F369-W376 HydrophobicContact CE2-CH2 4.2Å; F369-W376 AromaticContact CE2-CZ3 3.78Å; F369-W376 HydrophobicContact CE2-CZ3 3.78Å; F369-W376 HydrophobicContact CZ-CZ3 4.33Å; V374-W376 HydrophobicContact CG2-CE3 4.49Å; V374-W376 HydrophobicContact CG2-CZ3 3.89Å; W376-V447 HydrophobicContact CH2-CG1 3.47Å; W376-V447 VanDerWaalsContact CH2-CG1 3.47Å; W376-V447 HydrophobicContact CZ2-CG1 3.65Å; W376-I497 HydrophobicContact CD2-CB 4.34Å; W376-I497 HydrophobicContact CH2-CG2 3.92Å; W376-I497 HydrophobicContact CZ2-CB 4Å; W376-I497 HydrophobicContact CZ2-CD1 4.33Å; W376-I497 HydrophobicContact CZ2-CG2 3.53Å; W376-I497 PolarHBondContact N-O 2.85Å; W376-I497 VanDerWaalsContact N-O 3.11Å; W376-I497 PolarHBondContact O-N 3.15Å; W376-L499 HydrophobicContact CH2-CB 4.49Å; W376-L499 HydrophobicContact CZ3-CB 4.4Å; W376-P530 HydrophobicContact CH2-CG 4.09Å; W376-P530 HydrophobicContact CZ2-CB 3.88Å; W376-P530 HydrophobicContact CZ2-CG 3.75Å |
| 377 | E | 96.7 | Very high | 83.2 | Confident | 29 Ų | 29 | 62 Ų | 62 | 14% | 0.136 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 147.1 | -177.7 | -71.7 | 176.2 | -166 | 0 | 0 | 111.2 | Y375 R494 V495 A511 R544 | Y375-E377 HydrophobicContact CE1-CG 3.59Å; Y375-E377 WeakPolarHBondContact CE1-OE1 3.38Å; Y375-E377 VanDerWaalsContact OH-CG 3.23Å; Y375-E377 WeakPolarHBondContact OH-CG 3.36Å; Y375-E377 PolarHBondContact OH-OE1 3.45Å; Y375-E377 VanDerWaalsContact OH-OE1 3.05Å; E377-R494 HydrophobicContact CB-CG 4.19Å; E377-R494 WeakPolarHBondContact OE2-CD 3.27Å; E377-R494 IonicContact OE2-NE 2.77Å; E377-R494 IonicContact OE2-NH1 3.99Å; E377-V495 CarbonylContact C-O 3.58Å; E377-V495 WeakPolarHBondContact CA-O 3.29Å; E377-A511 HydrophobicContact CG-CB 4.02Å; E377-R544 HydrophobicContact CB-CB 3.83Å; E377-R544 PolarHBondContact N-O 3.48Å; E377-R544 PolarHBondContact O-N 3.06Å |
| 378 | V | 97.4 | Very high | 80.6 | Confident | 2 Ų | 2 | 60.7 Ų | 60.7 | 1% | 0.012 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 121.4 | 172.2 | -169.5 | 0 | 0 | 0 | 0 | 108.3 | V445 R494 V495 I497 L532 L541 L542 L543 | V378-V445 HydrophobicContact CB-CB 4.45Å; V378-V445 HydrophobicContact CB-CG1 4.08Å; V378-V445 HydrophobicContact CG1-CG1 3.75Å; V378-V445 HydrophobicContact CG2-CB 4.39Å; V378-V445 HydrophobicContact CG2-CG1 4.43Å; V378-R494 CarbonylContact O-C 3.59Å; V378-R494 WeakPolarHBondContact O-CA 3.27Å; V378-V495 PolarHBondContact N-O 2.87Å; V378-V495 PolarHBondContact O-N 3.48Å; V378-I497 HydrophobicContact CG2-CD1 3.68Å; V378-L532 HydrophobicContact CG1-CD2 3.93Å; V378-L532 HydrophobicContact CG2-CD2 4Å; V378-L541 HydrophobicContact CG1-CB 4.03Å; V378-L541 HydrophobicContact CG1-CD2 4.18Å; V378-L542 CarbonylContact C-O 3.58Å; V378-L542 WeakPolarHBondContact CA-O 3.18Å; V378-L543 HydrophobicContact CG2-CD2 4.05Å |
| 379 | E | 96.6 | Very high | 78.3 | Confident | 22 Ų | 22 | 67.1 Ų | 67.1 | 10% | 0.103 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 134.6 | 177.1 | -174.8 | 167.9 | -127.6 | 0 | 0 | 110.2 | R493 R494 L541 L542 R544 | E379-R493 CarbonylContact C-O 3.46Å; E379-R493 WeakPolarHBondContact CA-O 3.37Å; E379-R494 HydrophobicContact CB-CG 4.08Å; E379-R494 IonicContact OE1-CZ 3.14Å; E379-R494 IonicContact OE1-NE 3.65Å; E379-R494 PolarHBondContact OE1-NE 2.99Å; E379-R494 IonicContact OE1-NH2 3.64Å; E379-R494 PolarHBondContact OE1-NH2 3.38Å; E379-R494 IonicContact OE2-NH2 2.68Å; E379-L541 CarbonylContact O-C 3.5Å; E379-L541 VanDerWaalsContact O-CA 3.31Å; E379-L541 WeakPolarHBondContact O-CA 3.33Å; E379-L542 HydrophobicContact CB-CB 4.38Å; E379-L542 PolarHBondContact N-O 2.86Å; E379-L542 PolarHBondContact O-N 3.33Å; E379-R544 HydrophobicContact CB-CG 4.2Å; E379-R544 IonicContact OE2-CZ 3.48Å; E379-R544 IonicContact OE2-NE 3.56Å; E379-R544 PolarHBondContact OE2-NE 3.36Å; E379-R544 IonicContact OE2-NH2 3.32Å; E379-R544 PolarHBondContact OE2-NH2 2.88Å |
| 380 | L | 93.7 | Very high | 75.7 | Confident | 24 Ų | 24 | 73.9 Ų | 73.9 | 13% | 0.126 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 112.7 | 172.8 | 176.4 | 65.2 | 0 | 0 | 0 | 108.1 | R493 W536 A539 L541 | L380-R493 PolarHBondContact N-O 3.49Å; L380-W536 HydrophobicContact CD2-CE3 4.45Å; L380-W536 HydrophobicContact CD2-CH2 4.42Å; L380-W536 HydrophobicContact CD2-CZ3 3.86Å; L380-A539 HydrophobicContact CD1-CB 4.09Å; L380-L541 HydrophobicContact CB-CD2 4.15Å; L380-L541 HydrophobicContact CD1-CD2 3.7Å |
| 381 | E | 90.7 | Very high | 72.9 | Confident | 59 Ų | 59 | 79 Ų | 79 | 28% | 0.276 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 135.8 | 169.4 | -76.6 | 176.3 | -168.3 | 0 | 0 | 108.6 | A539 R540 L542 R544 | E381-A539 CarbonylContact O-C 3.58Å; E381-A539 WeakPolarHBondContact O-CA 3.37Å; E381-R540 HydrophobicContact CB-CG 3.61Å; E381-R540 PolarHBondContact N-O 3.43Å; E381-R540 PolarHBondContact O-N 3.11Å; E381-R540 VanDerWaalsContact OE2-CD 3.31Å; E381-R540 WeakPolarHBondContact OE2-CD 3.47Å; E381-R540 IonicContact OE2-CZ 2.7Å; E381-R540 IonicContact OE2-NE 2.67Å; E381-R540 IonicContact OE2-NH1 2.71Å; E381-R540 PolarHBondContact OE2-NH1 3.17Å; E381-L542 HydrophobicContact CB-CD1 3.83Å; E381-L542 HydrophobicContact CG-CD1 3.55Å; E381-R544 IonicContact OE1-NH2 3.8Å |
| 382 | R | 80.3 | Confident | 70.1 | Confident | 94 Ų | 94 | 73.3 Ų | 73.3 | 36% | 0.355 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 136.7 | 169.4 | 171.1 | -157.8 | -158.2 | -167 | 5 | 108.3 | G384 W385 E441 A539 | R382-G384 PolarHBondContact O-N 2.95Å; R382-W385 VanDerWaalsContact CB-CD1 3.45Å; R382-W385 VanDerWaalsContact CB-NE1 3.3Å; R382-W385 VanDerWaalsContact CD-CD1 3.48Å; R382-E441 IonicContact NH2-OE2 3.95Å; R382-E441 PolarHBondContact NH2-OE2 2.92Å; R382-A539 HydrophobicContact CB-CB 4.16Å; R382-A539 HydrophobicContact CG-CB 4.49Å |
| 383 | E | 60.5 | Low | 67.5 | Low | 149 Ų | 149 | 81.8 Ų | 81.8 | 70% | 0.696 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | 116.5 | 176.4 | -71.2 | 172.6 | -173.3 | 0 | 0 | 108.7 | R540 | E383-R540 IonicContact OE1-NH2 2.87Å; E383-R540 PolarHBondContact OE1-NH2 3.23Å |
| 384 | G | 49.3 | Very low | 64.8 | Low | 76 Ų | 76 | 87.5 Ų | 87.5 | 78% | 0.784 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 115.5 | 0.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 117 | R382 S386 | R382-G384 PolarHBondContact O-N 2.95Å; G384-S386 VanDerWaalsContact C-N 3.33Å; G384-S386 PolarHBondContact O-N 2.96Å; G384-S386 VanDerWaalsContact O-N 3.12Å |
| 385 | W | 48 | Very low | 62 | Low | 68 Ų | 68 | 95.9 Ų | 95.9 | 26% | 0.258 | 49% | 0.492 | S | S | . | . | trans | -79.5 | 86.3 | 164.1 | -63.5 | 72.4 | 0 | 0 | 0 | 108.2 | R382 W536 | R382-W385 VanDerWaalsContact CB-CD1 3.45Å; R382-W385 VanDerWaalsContact CB-NE1 3.3Å; R382-W385 VanDerWaalsContact CD-CD1 3.48Å; W385-W536 HydrophobicContact CZ2-CH2 4.34Å; W385-W536 HydrophobicContact CZ2-CZ2 4.48Å | ||
| 386 | S | 38.6 | Very low | 59.3 | Low | 71 Ų | 71 | 104.8 Ų | 104.8 | 50% | 0.497 | 53% | 0.534 | S | S | . | . | trans | -66.4 | 156.7 | 161.3 | 53.6 | 0 | 0 | 0 | 0 | 109.3 | G384 D388 | G384-S386 VanDerWaalsContact C-N 3.33Å; G384-S386 PolarHBondContact O-N 2.96Å; G384-S386 VanDerWaalsContact O-N 3.12Å; S386-D388 VanDerWaalsContact CB-OD2 3.23Å; S386-D388 WeakPolarHBondContact CB-OD2 3.48Å; S386-D388 PolarHBondContact O-N 3.04Å; S386-D388 PolarHBondContact OG-OD2 3.2Å | ||
| 387 | E | 40.4 | Very low | 56.6 | Low | 165 Ų | 165 | 114.4 Ų | 114.4 | 77% | 0.771 | 58% | 0.579 | S | S | * | * | G | 310 helix | trans | -70 | 15.7 | -176.1 | -65.3 | 169 | 152.2 | 0 | 0 | 113 | E389 | E387-E389 PolarHBondContact O-N 2.83Š|
| 388 | D | 40.8 | Very low | 53.7 | Low | 116 Ų | 116 | 116.2 Ų | 116.2 | 62% | 0.62 | 61% | 0.605 | S | S | * | * | G | 310 helix | trans | -90.3 | 1.2 | -165.3 | -51.4 | -37.5 | 0 | 0 | 0 | 114.3 | S386 | S386-D388 VanDerWaalsContact CB-OD2 3.23Å; S386-D388 WeakPolarHBondContact CB-OD2 3.48Å; S386-D388 PolarHBondContact O-N 3.04Å; S386-D388 PolarHBondContact OG-OD2 3.2Å |
| 389 | E | 45.9 | Very low | 50.9 | Low | 149 Ų | 149 | 125.2 Ų | 125.2 | 70% | 0.696 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -90.6 | -4.7 | 176.4 | -71.7 | -174.5 | 177.3 | 0 | 0 | 113.6 | E387 | E387-E389 PolarHBondContact O-N 2.83Š|
| 390 | E | 43.4 | Very low | 48.2 | Very low | 174 Ų | 174 | 132.5 Ų | 132.5 | 81% | 0.813 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -93.3 | -7.5 | 176.6 | -76.1 | -171 | 169 | 0 | 0 | 114.3 | ||
| 391 | E | 36.9 | Very low | 45.5 | Very low | 170 Ų | 170 | 140.6 Ų | 140.6 | 79% | 0.794 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -107.7 | 8.5 | -178.4 | -65.8 | -170.9 | 167.6 | 0 | 0 | 114.1 | ||
| 392 | G | 35.7 | Very low | 43.1 | Very low | 68 Ų | 68 | 146.6 Ų | 146.6 | 70% | 0.701 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | 5.6 | -171.1 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||
| 393 | E | 39.9 | Very low | 41.2 | Very low | 196 Ų | 196 | 150.7 Ų | 150.7 | 92% | 0.916 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.2 | 9.3 | -176.4 | -69.5 | -172.6 | 173.4 | 0 | 0 | 114.6 | ||
| 394 | E | 39.8 | Very low | 40 | Very low | 186 Ų | 186 | 151.9 Ų | 151.9 | 87% | 0.869 | 78% | 0.781 | S | S | * | * | trans | -106.3 | 13.1 | -174.9 | -66.5 | -164.3 | 170.6 | 0 | 0 | 116.3 | ||||
| 395 | E | 36 | Very low | 39.4 | Very low | 189 Ų | 189 | 157.1 Ų | 157.1 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | trans | -117.9 | 64.7 | -177.7 | -64.6 | -165.1 | 171.4 | 0 | 0 | 114.6 | ||||
| 396 | E | 39.7 | Very low | 38.9 | Very low | 192 Ų | 192 | 162.7 Ų | 162.7 | 90% | 0.897 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -156.6 | 45.3 | 157.2 | -83.5 | -152.6 | 164 | 0 | 0 | 113.2 | ||
| 397 | E | 37.5 | Very low | 38.8 | Very low | 204 Ų | 204 | 166.4 Ų | 166.4 | 95% | 0.953 | 83% | 0.833 | S | S | * | * | trans | -142.1 | 78.8 | 163.9 | -70.8 | -163.8 | 176.9 | 0 | 0 | 111.3 | ||||
| 398 | G | 36 | Very low | 38.6 | Very low | 66 Ų | 66 | 161.7 Ų | 161.7 | 68% | 0.68 | 83% | 0.829 | S | S | * | * | trans | -125 | 138.7 | 163.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 399 | E | 40.3 | Very low | 38.4 | Very low | 191 Ų | 191 | 168.1 Ų | 168.1 | 89% | 0.893 | 85% | 0.846 | S | S | * | * | S | Bend | trans | 83.7 | 111.3 | 171.8 | -53.8 | -178 | -178.4 | 0 | 0 | 113.5 | ||
| 400 | E | 39.9 | Very low | 37.9 | Very low | 176 Ų | 176 | 164.6 Ų | 164.6 | 82% | 0.822 | 85% | 0.85 | S | S | * | * | cis | -152.1 | 136.5 | 15.9 | -73.2 | 172.2 | 156.1 | 0 | 0 | 110.1 | ||||
| 401 | E | 36.1 | Very low | 37.5 | Very low | 193 Ų | 193 | 163.7 Ų | 163.7 | 90% | 0.902 | 85% | 0.851 | S | S | * | * | trans | -83.6 | 115.7 | 162.8 | -66.3 | -175.7 | 153.7 | 0 | 0 | 108.4 | ||||
| 402 | E | 40.4 | Very low | 37.4 | Very low | 185 Ų | 185 | 159 Ų | 159 | 86% | 0.864 | 85% | 0.847 | S | S | * | * | trans | -122.1 | 127.7 | 154.7 | -75.9 | -150 | 162.6 | 0 | 0 | 110.5 | ||||
| 403 | E | 39.6 | Very low | 37.6 | Very low | 180 Ų | 180 | 164.4 Ų | 164.4 | 84% | 0.841 | 85% | 0.848 | S | S | * | * | trans | -72.6 | 126.9 | -171.9 | -61.9 | 175 | 139.4 | 0 | 0 | 111.1 | E405 | E403-E405 PolarHBondContact O-N 2.81Š| ||
| 404 | D | 36.3 | Very low | 37.6 | Very low | 175 Ų | 175 | 162.9 Ų | 162.9 | 94% | 0.936 | 84% | 0.841 | S | S | * | * | trans | -69.5 | 93.3 | 168.4 | -75.6 | -47.7 | 0 | 0 | 0 | 109.8 | ||||
| 405 | E | 36.1 | Very low | 37.4 | Very low | 185 Ų | 185 | 160.5 Ų | 160.5 | 86% | 0.864 | 83% | 0.834 | S | S | * | * | trans | -94.3 | 121.9 | 158.4 | -83.2 | -160.6 | 159.9 | 0 | 0 | 111.2 | E403 | E403-E405 PolarHBondContact O-N 2.81Š| ||
| 406 | E | 37.2 | Very low | 37.6 | Very low | 186 Ų | 186 | 162.3 Ų | 162.3 | 87% | 0.869 | 83% | 0.833 | S | S | * | * | trans | -52.7 | 156 | 168.6 | -98.6 | -177.7 | 153.7 | 0 | 0 | 112.8 | ||||
| 407 | V | 36.9 | Very low | 37.4 | Very low | 148 Ų | 148 | 159.6 Ų | 159.6 | 90% | 0.897 | 82% | 0.82 | S | S | * | * | trans | 103.4 | 109.6 | 157.9 | -164 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 408 | G | 35.3 | Very low | 37.3 | Very low | 67 Ų | 67 | 155 Ų | 155 | 69% | 0.691 | 81% | 0.806 | S | S | * | * | trans | 134.1 | 109.2 | 141.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | G410 | G408-G410 PolarHBondContact O-N 3.49Š| ||
| 409 | Y | 37.2 | Very low | 37.5 | Very low | 251 Ų | 251 | 158.4 Ų | 158.4 | 98% | 0.984 | 81% | 0.809 | S | S | * | * | trans | -37.5 | 124.1 | 166.7 | -73 | -97.2 | 0 | 0 | 0 | 114.7 | ||||
| 410 | G | 35.6 | Very low | 37.6 | Very low | 75 Ų | 75 | 157.9 Ų | 157.9 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | trans | -169.5 | 109 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | G408 | G408-G410 PolarHBondContact O-N 3.49Š| ||
| 411 | D | 34.7 | Very low | 37.5 | Very low | 155 Ų | 155 | 158.6 Ų | 158.6 | 83% | 0.829 | 81% | 0.81 | S | S | * | * | trans | -66.7 | 123.5 | 167.6 | 160.2 | 23 | 0 | 0 | 0 | 109.6 | ||||
| 412 | G | 36.2 | Very low | 37.7 | Very low | 70 Ų | 70 | 157.1 Ų | 157.1 | 72% | 0.722 | 81% | 0.808 | S | S | * | * | trans | -169.2 | 120.5 | 178 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 413 | Y | 38.7 | Very low | 37.4 | Very low | 182 Ų | 182 | 156.6 Ų | 156.6 | 71% | 0.714 | 81% | 0.805 | S | S | * | * | trans | -84.4 | 128.2 | -179.4 | -81.7 | -107.6 | 0 | 0 | 0 | 111.9 | K273 | K273-Y413 PolarHBondContact NZ-OH 3.43Š| ||
| 414 | E | 39.9 | Very low | 37.5 | Very low | 164 Ų | 164 | 153.3 Ų | 153.3 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | trans | -148 | 103.4 | 156.7 | -66.7 | -174.1 | 164.6 | 0 | 0 | 106.2 | ||||
| 415 | D | 35.6 | Very low | 37.5 | Very low | 137 Ų | 137 | 152.8 Ų | 152.8 | 73% | 0.733 | 80% | 0.799 | S | S | * | * | 50.7 | 86.4 | 80.6 | -153.5 | 33.1 | 0 | 0 | 0 | 114.9 | |||||
| 416 | W | 41.1 | Very low | 37.7 | Very low | 226 Ų | 226 | 147 Ų | 147 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | trans | -141 | 107.1 | 157.6 | -63.7 | 101.6 | 0 | 0 | 0 | 109.2 | ||||
| 417 | E | 34.7 | Very low | 37.8 | Very low | 136 Ų | 136 | 147 Ų | 147 | 64% | 0.636 | 79% | 0.789 | S | S | * | * | trans | -124.2 | 128.8 | 156.4 | -126.2 | 168.3 | -141.8 | 0 | 0 | 101 | K274 | K274-E417 WeakPolarHBondContact CE-OE1 3.41Å; K274-E417 IonicContact NZ-OE1 2.88Å; K274-E417 PolarHBondContact NZ-OE1 3.39Å; K274-E417 IonicContact NZ-OE2 3.35Å; K274-E417 PolarHBondContact NZ-OE2 3.43Å | ||
| 418 | T | 34.9 | Very low | 37.9 | Very low | 107 Ų | 107 | 149.1 Ų | 149.1 | 66% | 0.656 | 79% | 0.789 | S | S | * | * | -169.3 | 171.4 | 53.4 | 33 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 419 | D | 40.7 | Very low | 38.1 | Very low | 138 Ų | 138 | 153.9 Ų | 153.9 | 74% | 0.738 | 79% | 0.794 | S | S | * | * | trans | 155.4 | 86 | 133.3 | -72.8 | -0.9 | 0 | 0 | 0 | 106.3 | ||||
| 420 | E | 43.2 | Very low | 37.9 | Very low | 180 Ų | 180 | 151.1 Ų | 151.1 | 84% | 0.841 | 79% | 0.79 | S | S | * | * | 86.6 | 105.7 | 90.4 | -78.7 | -161.3 | 179.6 | 0 | 0 | 110.9 | |||||
| 421 | E | 37.2 | Very low | 38 | Very low | 190 Ų | 190 | 155 Ų | 155 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | trans | -74 | 116.8 | 172.6 | -64.7 | 170.3 | 162.1 | 0 | 0 | 108 | ||||
| 422 | D | 39.7 | Very low | 37.9 | Very low | 163 Ų | 163 | 157 Ų | 157 | 87% | 0.872 | 79% | 0.792 | S | S | * | * | trans | -95.7 | 92.7 | 174 | -137.8 | -12.2 | 0 | 0 | 0 | 108.7 | S424 | D422-S424 PolarHBondContact O-N 2.72Š| ||
| 423 | E | 35.9 | Very low | 37.9 | Very low | 173 Ų | 173 | 161.7 Ų | 161.7 | 81% | 0.808 | 80% | 0.795 | S | S | * | * | trans | -82.3 | 92.5 | 166.3 | -75 | -164.7 | 166.1 | 0 | 0 | 109.2 | L425 | E423-L425 PolarHBondContact O-N 3.04Š| ||
| 424 | S | 40.2 | Very low | 37.7 | Very low | 111 Ų | 111 | 161.7 Ų | 161.7 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | trans | -88 | 98 | 168.7 | 166.5 | 0 | 0 | 0 | 0 | 110.4 | D422 G426 | D422-S424 PolarHBondContact O-N 2.72Å; S424-G426 PolarHBondContact O-N 2.76Å | ||
| 425 | L | 37.6 | Very low | 37.3 | Very low | 164 Ų | 164 | 163.4 Ų | 163.4 | 86% | 0.859 | 81% | 0.81 | S | S | * | * | trans | -73.8 | 104.7 | 163.2 | -69.7 | 169.8 | 0 | 0 | 0 | 109.2 | E423 | E423-L425 PolarHBondContact O-N 3.04Š| ||
| 426 | G | 39.8 | Very low | 37.1 | Very low | 65 Ų | 65 | 165 Ų | 165 | 67% | 0.67 | 81% | 0.813 | S | S | * | * | trans | -95.8 | 123.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | S424 E428 | S424-G426 PolarHBondContact O-N 2.76Å; G426-E428 PolarHBondContact O-N 3.17Å | ||
| 427 | E | 38.8 | Very low | 36.8 | Very low | 184 Ų | 184 | 163.5 Ų | 163.5 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | trans | -65.4 | 121.9 | 177.8 | -63.9 | 172.6 | 153.5 | 0 | 0 | 110.2 | E429 | E427-E429 PolarHBondContact O-N 2.69Š| ||
| 428 | E | 39.1 | Very low | 37.1 | Very low | 193 Ų | 193 | 165.1 Ų | 165.1 | 90% | 0.902 | 82% | 0.823 | S | S | * | * | trans | -79.7 | 103.9 | 170 | -69.2 | 179.1 | 174.6 | 0 | 0 | 108.3 | G426 E430 | G426-E428 PolarHBondContact O-N 3.17Å; E428-E430 PolarHBondContact O-N 3.35Å | ||
| 429 | E | 39.2 | Very low | 37.8 | Very low | 168 Ų | 168 | 164.6 Ų | 164.6 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | trans | -73.9 | 112.9 | 165.5 | -71.3 | -173.4 | 154.9 | 0 | 0 | 108.5 | E427 E431 | E427-E429 PolarHBondContact O-N 2.69Å; E429-E431 PolarHBondContact O-N 3.05Å; E429-E431 VanDerWaalsContact O-N 3.11Å | ||
| 430 | E | 32.9 | Very low | 39.1 | Very low | 192 Ų | 192 | 163.3 Ų | 163.3 | 90% | 0.897 | 81% | 0.809 | S | S | * | * | trans | -70.3 | 95 | 171.1 | -68.6 | 179.4 | 163.2 | 0 | 0 | 109.3 | E428 | E428-E430 PolarHBondContact O-N 3.35Š| ||
| 431 | E | 38.5 | Very low | 41.2 | Very low | 156 Ų | 156 | 158 Ų | 158 | 73% | 0.729 | 78% | 0.784 | S | S | * | * | trans | -88.1 | 112.5 | 163 | -70.2 | -166.1 | 158.9 | 0 | 0 | 109.3 | E429 E433 | E429-E431 PolarHBondContact O-N 3.05Å; E429-E431 VanDerWaalsContact O-N 3.11Å; E431-E433 PolarHBondContact O-N 3.22Å | ||
| 432 | E | 32.6 | Very low | 43.8 | Very low | 198 Ų | 198 | 149.2 Ų | 149.2 | 93% | 0.925 | 74% | 0.744 | S | S | * | * | trans | -67.7 | 92.9 | 170.2 | -68.1 | -178.7 | 159.4 | 0 | 0 | 109.2 | ||||
| 433 | E | 36.1 | Very low | 46.5 | Very low | 169 Ų | 169 | 141.5 Ų | 141.5 | 79% | 0.79 | 70% | 0.702 | S | S | * | * | trans | -78.4 | 119.7 | 171.4 | -71.7 | -172.5 | 162.8 | 0 | 0 | 110.7 | E431 E435 | E431-E433 PolarHBondContact O-N 3.22Å; E433-E435 PolarHBondContact O-N 2.82Å | ||
| 434 | E | 34.1 | Very low | 49.3 | Very low | 181 Ų | 181 | 133.5 Ų | 133.5 | 85% | 0.846 | 67% | 0.665 | S | S | * | * | trans | -60.5 | 118.7 | 169.6 | -63.9 | -178.4 | 156.7 | 0 | 0 | 109.2 | E436 | E434-E436 VanDerWaalsContact C-N 3.3Å; E434-E436 PolarHBondContact O-N 2.79Å | ||
| 435 | E | 30.9 | Very low | 52 | Low | 200 Ų | 200 | 128.2 Ų | 128.2 | 94% | 0.935 | 63% | 0.628 | S | S | * | * | trans | -61.2 | 81 | 177.7 | -68.3 | 179.5 | 162.7 | 0 | 0 | 111.7 | E433 | E433-E435 PolarHBondContact O-N 2.82Š| ||
| 436 | E | 31.5 | Very low | 54.9 | Low | 171 Ų | 171 | 120.4 Ų | 120.4 | 80% | 0.799 | 59% | 0.587 | S | S | * | * | trans | -73 | 121.6 | 153.8 | -69.6 | -166.3 | 163.6 | 0 | 0 | 107.1 | E434 E438 | E434-E436 VanDerWaalsContact C-N 3.3Å; E434-E436 PolarHBondContact O-N 2.79Å; E436-E438 VanDerWaalsContact C-N 3.28Å; E436-E438 PolarHBondContact O-N 3.5Å | ||
| 437 | E | 35 | Very low | 57.6 | Low | 194 Ų | 194 | 117.3 Ų | 117.3 | 91% | 0.907 | 56% | 0.555 | S | S | * | * | trans | -56.3 | 90.7 | 174.7 | -78 | -177.2 | 153.5 | 0 | 0 | 109.9 | V439 | E437-V439 PolarHBondContact O-N 3.07Å; E437-V439 VanDerWaalsContact O-N 3.07Å | ||
| 438 | E | 40.5 | Very low | 60.4 | Low | 171 Ų | 171 | 108.6 Ų | 108.6 | 80% | 0.799 | 51% | 0.514 | S | S | * | . | trans | -53 | 118.7 | 174.1 | -84.5 | -165.1 | 145.8 | 0 | 0 | 108.4 | E436 Q440 | E436-E438 VanDerWaalsContact C-N 3.28Å; E436-E438 PolarHBondContact O-N 3.5Å; E438-Q440 VanDerWaalsContact C-N 3.25Å; E438-Q440 PolarHBondContact O-N 2.87Å | ||
| 439 | V | 50.5 | Low | 63.1 | Low | 95 Ų | 95 | 101.8 Ų | 101.8 | 58% | 0.576 | 48% | 0.482 | S | S | * | . | trans | -65.2 | 89.6 | 174.4 | 175.4 | 0 | 0 | 0 | 0 | 107.7 | E437 E441 K535 | E437-V439 PolarHBondContact O-N 3.07Å; E437-V439 VanDerWaalsContact O-N 3.07Å; V439-E441 PolarHBondContact O-N 3.34Å; V439-K535 HydrophobicContact CG1-CD 3.98Å; V439-K535 HydrophobicContact CG1-CG 4.39Å | ||
| 440 | Q | 67 | Low | 65.7 | Low | 111 Ų | 111 | 96.4 Ų | 96.4 | 52% | 0.519 | 46% | 0.459 | S | S | . | . | trans | -62.3 | 105.9 | -177.6 | -80.6 | -176.7 | -6.3 | 0 | 0 | 110.7 | E438 S442 | E438-Q440 VanDerWaalsContact C-N 3.25Å; E438-Q440 PolarHBondContact O-N 2.87Å; Q440-S442 PolarHBondContact O-N 3.41Å; Q440-S442 PolarHBondContact O-OG 2.98Å | ||
| 441 | E | 88.2 | Confident | 68.5 | Low | 69 Ų | 69 | 90.1 Ų | 90.1 | 32% | 0.322 | 44% | 0.436 | S | S | . | . | trans | -54 | 113.2 | 173.7 | -66.6 | -167.5 | 159.9 | 0 | 0 | 109.5 | R382 V439 S472 P473 K535 W536 | R382-E441 IonicContact NH2-OE2 3.95Å; R382-E441 PolarHBondContact NH2-OE2 2.92Å; V439-E441 PolarHBondContact O-N 3.34Å; E441-S472 WeakPolarHBondContact O-CB 3.46Å; E441-P473 HydrophobicContact CB-CG 4.46Å; E441-P473 WeakPolarHBondContact O-CD 2.88Å; E441-K535 WeakPolarHBondContact CA-O 3.36Å; E441-W536 HydrophobicContact CB-CD2 4.43Å; E441-W536 HydrophobicContact CB-CG 4.16Å; E441-W536 PolarHBondContact OE2-NE1 3.37Å | ||
| 442 | S | 92.7 | Very high | 71.1 | Confident | 6 Ų | 6 | 83.3 Ų | 83.3 | 4% | 0.042 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 162.4 | -178 | 53.9 | 0 | 0 | 0 | 0 | 112.3 | Q440 L471 W533 K535 | Q440-S442 PolarHBondContact O-N 3.41Å; Q440-S442 PolarHBondContact O-OG 2.98Å; S442-L471 VanDerWaalsContact CA-O 3.26Å; S442-L471 WeakPolarHBondContact CA-O 3.46Å; S442-L471 WeakPolarHBondContact CB-O 3.48Å; S442-W533 VanDerWaalsContact O-CZ3 3.28Å; S442-W533 WeakPolarHBondContact O-CZ3 3.1Å; S442-W533 WeakPolarHBondContact OG-CZ3 3.28Å; S442-K535 PolarHBondContact N-O 3.46Å; S442-K535 CarbonylContact O-C 3.09Å; S442-K535 PolarHBondContact O-N 3.31Å |
| 443 | C | 94.7 | Very high | 73.8 | Confident | 0 Ų | 0 | 80 Ų | 80 | 0% | 0 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 158.4 | 166.8 | 73.1 | 0 | 0 | 0 | 0 | 110.1 | R470 L471 W533 L534 L541 | C443-R470 CarbonylContact O-C 3.58Å; C443-R470 WeakPolarHBondContact O-CA 3.37Å; C443-L471 PolarHBondContact N-O 3.3Å; C443-L471 PolarHBondContact O-N 2.85Å; C443-W533 CarbonylContact C-O 3.51Å; C443-W533 VanDerWaalsContact CA-O 3.22Å; C443-W533 WeakPolarHBondContact CA-O 3.36Å; C443-W533 WeakPolarHBondContact CB-O 3.36Å; C443-L534 HydrophobicContact CB-CD1 3.51Å; C443-L541 HydrophobicContact CB-CD1 4.17Å; C443-L541 HydrophobicContact CB-CD2 4.32Å |
| 444 | M | 95.7 | Very high | 76.4 | Confident | 5 Ų | 5 | 74.3 Ų | 74.3 | 3% | 0.025 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 141.5 | 172 | -52.7 | 174.1 | 50.5 | 0 | 0 | 111.4 | L460 A468 L469 R470 N479 F531 L532 W533 | M444-L460 HydrophobicContact CE-CB 3.94Å; M444-L460 HydrophobicContact CE-CD1 4.15Å; M444-L460 HydrophobicContact SD-CB 4.27Å; M444-L460 HydrophobicContact SD-CD1 3.48Å; M444-L460 WeakPolarHBondContact SD-CD1 3.24Å; M444-A468 HydrophobicContact CB-CB 4.36Å; M444-A468 HydrophobicContact CE-CB 3.61Å; M444-L469 WeakPolarHBondContact CA-O 3.3Å; M444-L469 WeakPolarHBondContact CB-O 2.9Å; M444-R470 HydrophobicContact CG-CB 4.01Å; M444-R470 HydrophobicContact CG-CG 4.15Å; M444-N479 HydrophobicContact CE-CB 4.41Å; M444-N479 WeakPolarHBondContact CE-ND2 3.31Å; M444-F531 HydrophobicContact CE-CE1 4.42Å; M444-L532 WeakPolarHBondContact O-CA 3.21Å; M444-W533 HydrophobicContact CB-CB 4.02Å; M444-W533 HydrophobicContact CG-CB 4.39Å; M444-W533 HydrophobicContact CG-CE3 4.19Å; M444-W533 PolarHBondContact N-O 3.44Å; M444-W533 PolarHBondContact O-N 3.13Å |
| 445 | V | 97.4 | Very high | 79.1 | Confident | 1 Ų | 1 | 69 Ų | 69 | 1% | 0.006 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 133.9 | 177.9 | -57.7 | 0 | 0 | 0 | 0 | 109.2 | V378 A468 L469 V495 I497 F508 L532 L541 | V378-V445 HydrophobicContact CB-CB 4.45Å; V378-V445 HydrophobicContact CB-CG1 4.08Å; V378-V445 HydrophobicContact CG1-CG1 3.75Å; V378-V445 HydrophobicContact CG2-CB 4.39Å; V378-V445 HydrophobicContact CG2-CG1 4.43Å; V445-A468 VanDerWaalsContact O-CA 3.3Å; V445-A468 WeakPolarHBondContact O-CA 3.4Å; V445-A468 WeakPolarHBondContact O-CB 3.39Å; V445-L469 PolarHBondContact N-O 3.34Å; V445-L469 PolarHBondContact O-N 3.31Å; V445-V495 HydrophobicContact CG2-CB 4.02Å; V445-V495 HydrophobicContact CG2-CG1 3.88Å; V445-V495 HydrophobicContact CG2-CG2 4.23Å; V445-I497 HydrophobicContact CB-CD1 4.17Å; V445-I497 HydrophobicContact CG2-CD1 4.48Å; V445-F508 WeakPolarHBondContact O-CE1 2.94Å; V445-L532 HydrophobicContact CB-CD2 4.27Å; V445-L532 HydrophobicContact CG1-CD2 3.99Å; V445-L541 HydrophobicContact CG1-CD1 4.27Å; V445-L541 HydrophobicContact CG1-CD2 4.26Å |
| 446 | G | 97.6 | Very high | 81.6 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 170.1 | -145.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | W467 F531 | G446-W467 WeakPolarHBondContact CA-O 3.42Å; G446-F531 PolarHBondContact N-O 3.11Å; G446-F531 PolarHBondContact O-N 3.5Å |
| 447 | V | 97.8 | Very high | 83.9 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 148.9 | 177.3 | -61.4 | 0 | 0 | 0 | 0 | 110.9 | W376 W467 I497 V506 L528 V529 | W376-V447 HydrophobicContact CH2-CG1 3.47Å; W376-V447 VanDerWaalsContact CH2-CG1 3.47Å; W376-V447 HydrophobicContact CZ2-CG1 3.65Å; V447-W467 HydrophobicContact CG2-CB 3.99Å; V447-W467 HydrophobicContact CG2-CE3 4.09Å; V447-W467 PolarHBondContact N-O 3.21Å; V447-W467 PolarHBondContact O-N 3.07Å; V447-I497 HydrophobicContact CG1-CG2 4.37Å; V447-V506 HydrophobicContact CG2-CB 4.36Å; V447-V506 HydrophobicContact CG2-CG1 4.03Å; V447-V506 HydrophobicContact CG2-CG2 3.47Å; V447-V506 VanDerWaalsContact CG2-CG2 3.47Å; V447-L528 HydrophobicContact CG2-CD1 4.24Å; V447-V529 CarbonylContact C-O 3.54Å; V447-V529 VanDerWaalsContact CA-O 3.27Å; V447-V529 WeakPolarHBondContact CA-O 3.35Å |
| 448 | A | 96.7 | Very high | 86.1 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 159.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | L364 V452 G465 V466 L528 V529 F531 | L364-A448 HydrophobicContact CD2-CB 4.18Å; A448-V452 HydrophobicContact CB-CB 4.3Å; A448-V452 HydrophobicContact CB-CG1 4.25Å; A448-G465 CarbonylContact C-O 3.52Å; A448-G465 WeakPolarHBondContact CA-O 3.31Å; A448-V466 HydrophobicContact CB-CG2 4.1Å; A448-L528 CarbonylContact O-C 3.44Å; A448-L528 VanDerWaalsContact O-CA 3.31Å; A448-L528 WeakPolarHBondContact O-CA 3.37Å; A448-V529 PolarHBondContact N-O 2.87Å; A448-V529 WeakPolarHBondContact O-CG2 3.45Å; A448-V529 PolarHBondContact O-N 2.67Å; A448-F531 HydrophobicContact CB-CB 3.78Å; A448-F531 HydrophobicContact CB-CD2 4.26Å; A448-F531 HydrophobicContact CB-CG 4.03Å |
| 449 | K | 96 | Very high | 88.2 | Confident | 50 Ų | 50 | 44.9 Ų | 44.9 | 22% | 0.217 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 141.2 | 163.5 | -65.6 | 174.6 | -170.1 | 155.7 | 0 | 108.8 | S451 V452 G465 W467 L528 | K449-S451 PolarHBondContact O-N 3.42Å; K449-S451 VanDerWaalsContact O-N 3.15Å; K449-V452 VanDerWaalsContact O-CB 3.3Å; K449-V452 WeakPolarHBondContact O-CB 3.42Å; K449-V452 WeakPolarHBondContact O-CG1 3.3Å; K449-V452 PolarHBondContact O-N 2.9Å; K449-G465 PolarHBondContact N-O 3.15Å; K449-W467 HydrophobicContact CG-CH2 4.18Å; K449-W467 HydrophobicContact CG-CZ3 4.01Å; K449-L528 HydrophobicContact CG-CD2 4.04Å |
| 450 | D | 93.6 | Very high | 90 | Very high | 56 Ų | 56 | 41.4 Ų | 41.4 | 30% | 0.299 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -29.5 | 173.1 | 65.9 | -12.8 | 0 | 0 | 0 | 112.6 | V452 R454 R527 V529 | D450-V452 VanDerWaalsContact C-N 3.33Å; D450-V452 PolarHBondContact O-N 2.94Å; D450-R454 PolarHBondContact O-NH2 3.48Å; D450-R527 HydrophobicContact CB-CB 4.41Å; D450-R527 HydrophobicContact CB-CG 4.45Å; D450-R527 PolarHBondContact N-O 3.42Å; D450-R527 WeakPolarHBondContact OD2-CB 3.21Å; D450-V529 HydrophobicContact CB-CG1 4.15Å |
| 451 | S | 91.9 | Very high | 91.2 | Very high | 59 Ų | 59 | 42.1 Ų | 42.1 | 41% | 0.413 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 17.4 | 176 | 73.9 | 0 | 0 | 0 | 0 | 114.7 | K449 R526 | K449-S451 PolarHBondContact O-N 3.42Å; K449-S451 VanDerWaalsContact O-N 3.15Å; S451-R526 PolarHBondContact OG-NH1 2.77Å; S451-R526 VanDerWaalsContact OG-NH1 3.07Å |
| 452 | V | 92 | Very high | 91.5 | Very high | 13 Ų | 13 | 39.8 Ų | 39.8 | 8% | 0.079 | 21% | 0.205 | C | C | . | . | trans | -56.6 | 143.3 | 176.6 | 67.5 | 0 | 0 | 0 | 0 | 110.7 | F357 L364 A448 K449 D450 R454 V466 | F357-V452 HydrophobicContact CZ-CG1 4.08Å; L364-V452 HydrophobicContact CD1-CG1 4.32Å; L364-V452 HydrophobicContact CD2-CG1 4.15Å; A448-V452 HydrophobicContact CB-CB 4.3Å; A448-V452 HydrophobicContact CB-CG1 4.25Å; K449-V452 VanDerWaalsContact O-CB 3.3Å; K449-V452 WeakPolarHBondContact O-CB 3.42Å; K449-V452 WeakPolarHBondContact O-CG1 3.3Å; K449-V452 PolarHBondContact O-N 2.9Å; D450-V452 VanDerWaalsContact C-N 3.33Å; D450-V452 PolarHBondContact O-N 2.94Å; V452-R454 HydrophobicContact CG1-CG 4.47Å; V452-R454 VanDerWaalsContact O-CG 3.27Å; V452-R454 WeakPolarHBondContact O-CG 3.4Å; V452-V466 HydrophobicContact CG2-CG2 3.69Å | ||
| 453 | K | 91.1 | Very high | 91.4 | Very high | 129 Ų | 129 | 45.3 Ų | 45.3 | 56% | 0.561 | 23% | 0.23 | S | C | * | . | trans | -62.1 | 137.3 | 174.2 | -170.4 | -171.2 | -179.1 | -151.4 | 0 | 108.7 | K455 D457 L458 | K453-K455 WeakPolarHBondContact CE-O 3.02Å; K453-D457 PolarHBondContact NZ-O 3.04Å; K453-L458 HydrophobicContact CB-CD2 3.93Å; K453-L458 HydrophobicContact CD-CD2 3.91Å; K453-L458 HydrophobicContact CG-CD2 3.75Å; K453-L458 VanDerWaalsContact O-CD2 3.27Å; K453-L458 WeakPolarHBondContact O-CD2 3.38Å | ||
| 454 | R | 90.5 | Very high | 91.3 | Very high | 49 Ų | 49 | 49.4 Ų | 49.4 | 19% | 0.185 | 25% | 0.251 | C | S | . | . | trans | -125 | 0.5 | -175.7 | -46.8 | -175.5 | -169 | 176.5 | -1.1 | 113.7 | Q355 F357 D358 L364 D450 V452 | Q355-R454 WeakPolarHBondContact O-CD 3.46Å; Q355-R454 PolarHBondContact O-NH1 2.97Å; F357-R454 WeakPolarHBondContact CA-O 3.43Å; F357-R454 HydrophobicContact CD1-CB 3.82Å; F357-R454 HydrophobicContact CD1-CG 4.23Å; F357-R454 HydrophobicContact CE1-CB 3.99Å; F357-R454 HydrophobicContact CE1-CG 3.91Å; F357-R454 HydrophobicContact CG-CB 4.28Å; F357-R454 HydrophobicContact CZ-CG 4.13Å; D358-R454 PolarHBondContact N-O 3.45Å; L364-R454 VanDerWaalsContact CD1-NH2 3.33Å; D450-R454 PolarHBondContact O-NH2 3.48Å; V452-R454 HydrophobicContact CG1-CG 4.47Å; V452-R454 VanDerWaalsContact O-CG 3.27Å; V452-R454 WeakPolarHBondContact O-CG 3.4Å | ||
| 455 | K | 89.7 | Confident | 91.2 | Very high | 69 Ų | 69 | 49.1 Ų | 49.1 | 30% | 0.3 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -123.7 | 137.9 | -172.9 | -57.5 | -60.9 | -177.7 | -170.5 | 0 | 112.1 | L353 Q356 D358 K453 | L353-K455 PolarHBondContact O-NZ 2.87Å; Q356-K455 VanDerWaalsContact O-CE 3.3Å; Q356-K455 WeakPolarHBondContact O-CE 3.42Å; Q356-K455 PolarHBondContact O-NZ 2.73Å; D358-K455 HydrophobicContact CB-CD 3.81Å; D358-K455 VanDerWaalsContact OD1-CA 3.24Å; D358-K455 WeakPolarHBondContact OD1-CA 3.31Å; D358-K455 VanDerWaalsContact OD2-CA 3.26Å; D358-K455 WeakPolarHBondContact OD2-CA 3.48Å; D358-K455 WeakPolarHBondContact OD2-CB 3.4Å; D358-K455 WeakPolarHBondContact OD2-CD 3.46Å; K453-K455 WeakPolarHBondContact CE-O 3.02Å |
| 456 | G | 84.7 | Confident | 91.1 | Very high | 29 Ų | 29 | 49.1 Ų | 49.1 | 30% | 0.299 | 25% | 0.25 | S | C | . | . | S | Bend | trans | 65.3 | -155.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | D358 L458 | D358-G456 PolarHBondContact OD1-N 3.39Å; D358-G456 PolarHBondContact OD2-N 2.95Å; G456-L458 WeakPolarHBondContact O-CG 3.3Å; G456-L458 PolarHBondContact O-N 3.24Å |
| 457 | D | 79.3 | Confident | 91.1 | Very high | 140 Ų | 140 | 49.5 Ų | 49.5 | 75% | 0.749 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -62.6 | 123.8 | -179.5 | -172.5 | 15.4 | 0 | 0 | 0 | 111.4 | K453 | K453-D457 PolarHBondContact NZ-O 3.04Š|
| 458 | L | 81.5 | Confident | 91.1 | Very high | 17 Ų | 17 | 49.5 Ų | 49.5 | 9% | 0.089 | 25% | 0.252 | C | S | . | . | trans | -112.6 | 118 | -174.4 | -59.5 | -173.9 | 0 | 0 | 0 | 110.4 | F357 E360 K453 G456 L460 | F357-L458 HydrophobicContact CD1-CD1 3.49Å; F357-L458 VanDerWaalsContact CD1-CD1 3.49Å; F357-L458 HydrophobicContact CE1-CD1 3.67Å; E360-L458 HydrophobicContact CB-CD1 3.85Å; E360-L458 HydrophobicContact CG-CB 3.98Å; E360-L458 HydrophobicContact CG-CD1 3.63Å; E360-L458 HydrophobicContact CG-CG 3.88Å; K453-L458 HydrophobicContact CB-CD2 3.93Å; K453-L458 HydrophobicContact CD-CD2 3.91Å; K453-L458 HydrophobicContact CG-CD2 3.75Å; K453-L458 VanDerWaalsContact O-CD2 3.27Å; K453-L458 WeakPolarHBondContact O-CD2 3.38Å; G456-L458 WeakPolarHBondContact O-CG 3.3Å; G456-L458 PolarHBondContact O-N 3.24Å; L458-L460 HydrophobicContact CB-CD2 4.21Å; L458-L460 PolarHBondContact O-N 3.19Å | ||
| 459 | S | 83.9 | Confident | 91.1 | Very high | 44 Ų | 44 | 49.5 Ų | 49.5 | 31% | 0.308 | 25% | 0.252 | S | S | . | . | trans | -77.7 | 112 | 163.8 | 175.4 | 0 | 0 | 0 | 0 | 109 | R461 D464 | S459-R461 PolarHBondContact O-N 3.38Å; S459-R461 WeakPolarHBondContact OG-CD 3.28Å; S459-R461 VanDerWaalsContact OG-CG 3.27Å; S459-R461 WeakPolarHBondContact OG-CG 3.11Å; S459-D464 WeakPolarHBondContact CB-OD2 3.11Å; S459-D464 WeakPolarHBondContact O-CB 3.36Å; S459-D464 PolarHBondContact OG-OD2 3.3Å | ||
| 460 | L | 88 | Confident | 91 | Very high | 23 Ų | 23 | 48.9 Ų | 48.9 | 12% | 0.12 | 25% | 0.248 | C | C | . | . | trans | -88.9 | 50.8 | 177 | -57.4 | -179.7 | 0 | 0 | 0 | 110.8 | M444 L458 V466 N479 F531 W533 | M444-L460 HydrophobicContact CE-CB 3.94Å; M444-L460 HydrophobicContact CE-CD1 4.15Å; M444-L460 HydrophobicContact SD-CB 4.27Å; M444-L460 HydrophobicContact SD-CD1 3.48Å; M444-L460 WeakPolarHBondContact SD-CD1 3.24Å; L458-L460 HydrophobicContact CB-CD2 4.21Å; L458-L460 PolarHBondContact O-N 3.19Å; L460-V466 HydrophobicContact CB-CG1 4.47Å; L460-V466 HydrophobicContact CD2-CG2 4.44Å; L460-N479 WeakPolarHBondContact O-CB 3.25Å; L460-N479 PolarHBondContact O-ND2 3.34Å; L460-N479 VanDerWaalsContact O-ND2 3.08Å; L460-F531 HydrophobicContact CD2-CE1 4.39Å; L460-F531 HydrophobicContact CD2-CZ 3.88Å; L460-W533 HydrophobicContact CD1-CG 4.27Å | ||
| 461 | R | 91.7 | Very high | 91 | Very high | 126 Ų | 126 | 46.7 Ų | 46.7 | 48% | 0.475 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -114 | 162.6 | -175 | -60.5 | -178.4 | -160.6 | -166.4 | 4.1 | 112.7 | S459 E463 D464 G465 V466 | S459-R461 PolarHBondContact O-N 3.38Å; S459-R461 WeakPolarHBondContact OG-CD 3.28Å; S459-R461 VanDerWaalsContact OG-CG 3.27Å; S459-R461 WeakPolarHBondContact OG-CG 3.11Å; R461-E463 VanDerWaalsContact C-N 3.28Å; R461-E463 WeakPolarHBondContact CB-OE2 3.45Å; R461-E463 PolarHBondContact O-N 3.23Å; R461-D464 PolarHBondContact O-N 3.33Å; R461-D464 VanDerWaalsContact O-N 3.16Å; R461-G465 PolarHBondContact O-N 2.85Å; R461-V466 CarbonylContact C-O 3.6Å; R461-V466 PolarHBondContact O-N 2.98Å |
| 462 | P | 94.4 | Very high | 91 | Very high | 20 Ų | 20 | 44 Ų | 44 | 13% | 0.13 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -34.5 | -178 | -25.7 | 40.7 | 0 | 0 | 0 | 112.1 | D464 G465 V466 N479 F520 | P462-D464 VanDerWaalsContact C-N 3.27Å; P462-D464 PolarHBondContact O-N 3.46Å; P462-G465 WeakPolarHBondContact O-CA 3.43Å; P462-G465 PolarHBondContact O-N 3.18Å; P462-V466 WeakPolarHBondContact CA-O 3.25Å; P462-V466 VanDerWaalsContact N-O 3.09Å; P462-N479 WeakPolarHBondContact CD-O 3.08Å; P462-N479 WeakPolarHBondContact CG-O 3.39Å; P462-F520 HydrophobicContact CG-CD1 4.17Å; P462-F520 HydrophobicContact CG-CE1 3.88Å |
| 463 | E | 91.7 | Very high | 90.8 | Very high | 122 Ų | 122 | 46.4 Ų | 46.4 | 57% | 0.57 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -37.6 | 177.8 | -61 | 72.7 | -151.2 | 0 | 0 | 111.3 | R461 G465 | R461-E463 VanDerWaalsContact C-N 3.28Å; R461-E463 WeakPolarHBondContact CB-OE2 3.45Å; R461-E463 PolarHBondContact O-N 3.23Å; E463-G465 PolarHBondContact O-N 3.23Å |
| 464 | D | 91.7 | Very high | 90.6 | Very high | 85 Ų | 85 | 44 Ų | 44 | 46% | 0.455 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -0.6 | 176.4 | -61.3 | -67.1 | 0 | 0 | 0 | 113 | S459 R461 P462 | S459-D464 WeakPolarHBondContact CB-OD2 3.11Å; S459-D464 WeakPolarHBondContact O-CB 3.36Å; S459-D464 PolarHBondContact OG-OD2 3.3Å; R461-D464 PolarHBondContact O-N 3.33Å; R461-D464 VanDerWaalsContact O-N 3.16Å; P462-D464 VanDerWaalsContact C-N 3.27Å; P462-D464 PolarHBondContact O-N 3.46Å |
| 465 | G | 93.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.7 | 30.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | A448 K449 R461 P462 E463 W467 | A448-G465 CarbonylContact C-O 3.52Å; A448-G465 WeakPolarHBondContact CA-O 3.31Å; K449-G465 PolarHBondContact N-O 3.15Å; R461-G465 PolarHBondContact O-N 2.85Å; P462-G465 WeakPolarHBondContact O-CA 3.43Å; P462-G465 PolarHBondContact O-N 3.18Å; E463-G465 PolarHBondContact O-N 3.23Å; G465-W467 WeakPolarHBondContact O-CZ3 3.3Å |
| 466 | V | 95.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 121.6 | 171.9 | -177.2 | 0 | 0 | 0 | 0 | 109.3 | A448 V452 L460 R461 P462 A468 F531 | A448-V466 HydrophobicContact CB-CG2 4.1Å; V452-V466 HydrophobicContact CG2-CG2 3.69Å; L460-V466 HydrophobicContact CB-CG1 4.47Å; L460-V466 HydrophobicContact CD2-CG2 4.44Å; R461-V466 CarbonylContact C-O 3.6Å; R461-V466 PolarHBondContact O-N 2.98Å; P462-V466 WeakPolarHBondContact CA-O 3.25Å; P462-V466 VanDerWaalsContact N-O 3.09Å; V466-A468 HydrophobicContact CG1-CB 4.11Å; V466-F531 HydrophobicContact CG1-CD1 3.77Å; V466-F531 HydrophobicContact CG1-CE1 3.76Å |
| 467 | W | 97.3 | Very high | 91.3 | Very high | 9 Ų | 9 | 39.3 Ų | 39.3 | 3% | 0.034 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 101 | 175.5 | -59.6 | -91.4 | 0 | 0 | 0 | 108.2 | G446 V447 K449 G465 V506 F520 T522 F524 L528 | G446-W467 WeakPolarHBondContact CA-O 3.42Å; V447-W467 HydrophobicContact CG2-CB 3.99Å; V447-W467 HydrophobicContact CG2-CE3 4.09Å; V447-W467 PolarHBondContact N-O 3.21Å; V447-W467 PolarHBondContact O-N 3.07Å; K449-W467 HydrophobicContact CG-CH2 4.18Å; K449-W467 HydrophobicContact CG-CZ3 4.01Å; G465-W467 WeakPolarHBondContact O-CZ3 3.3Å; W467-V506 HydrophobicContact CB-CG2 4.47Å; W467-F520 HydrophobicContact CB-CB 4.5Å; W467-F520 HydrophobicContact CB-CD1 4.49Å; W467-F520 HydrophobicContact CB-CD2 4.25Å; W467-F520 HydrophobicContact CB-CG 4.17Å; W467-F520 AromaticContact CD1-CD1 3.72Å; W467-F520 AromaticContact CD1-CG 3.82Å; W467-F520 HydrophobicContact CG-CB 4.44Å; W467-F520 HydrophobicContact CG-CG 4.41Å; W467-T522 HydrophobicContact CZ2-CG2 3.62Å; W467-F524 HydrophobicContact CD2-CE1 4.21Å; W467-F524 AromaticContact CE2-CE1 3.99Å; W467-F524 HydrophobicContact CE3-CE1 4.36Å; W467-F524 AromaticContact CH2-CD1 3.95Å; W467-F524 HydrophobicContact CH2-CD1 3.95Å; W467-F524 HydrophobicContact CH2-CE1 4Å; W467-F524 HydrophobicContact CZ2-CD1 4.14Å; W467-F524 AromaticContact CZ2-CE1 3.9Å; W467-F524 HydrophobicContact CZ2-CE1 3.9Å; W467-F524 HydrophobicContact CZ3-CD1 4.41Å; W467-F524 HydrophobicContact CZ3-CE1 4.27Å; W467-L528 HydrophobicContact CE3-CD2 4.2Å; W467-L528 HydrophobicContact CH2-CD2 4.12Å; W467-L528 HydrophobicContact CZ3-CD2 3.42Å; W467-L528 VanDerWaalsContact CZ3-CD2 3.42Å |
| 468 | A | 97.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 155.6 | -170.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | M444 V445 V466 N479 F531 | M444-A468 HydrophobicContact CB-CB 4.36Å; M444-A468 HydrophobicContact CE-CB 3.61Å; V445-A468 VanDerWaalsContact O-CA 3.3Å; V445-A468 WeakPolarHBondContact O-CA 3.4Å; V445-A468 WeakPolarHBondContact O-CB 3.39Å; V466-A468 HydrophobicContact CG1-CB 4.11Å; A468-N479 PolarHBondContact O-N 2.97Å; A468-F531 HydrophobicContact CB-CD1 4.43Å |
| 469 | L | 96.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 135.3 | 165.2 | -66.3 | -173.6 | 0 | 0 | 0 | 109.6 | M444 V445 W477 A478 L486 F508 I517 | M444-L469 WeakPolarHBondContact CA-O 3.3Å; M444-L469 WeakPolarHBondContact CB-O 2.9Å; V445-L469 PolarHBondContact N-O 3.34Å; V445-L469 PolarHBondContact O-N 3.31Å; L469-W477 CarbonylContact C-O 3.54Å; L469-W477 WeakPolarHBondContact CA-O 3.28Å; L469-A478 HydrophobicContact CD2-CB 3.98Å; L469-L486 HydrophobicContact CD2-CD1 3.67Å; L469-F508 HydrophobicContact CB-CD1 4.46Å; L469-F508 HydrophobicContact CD1-CB 3.43Å; L469-F508 VanDerWaalsContact CD1-CB 3.43Å; L469-F508 HydrophobicContact CD1-CD1 3.74Å; L469-F508 HydrophobicContact CD1-CD2 4.29Å; L469-F508 HydrophobicContact CD1-CG 3.56Å; L469-F508 HydrophobicContact CD2-CD2 4.31Å; L469-F508 HydrophobicContact CD2-CG 4.39Å; L469-F508 HydrophobicContact CG-CB 4.04Å; L469-F508 HydrophobicContact CG-CD1 3.71Å; L469-F508 HydrophobicContact CG-CD2 3.92Å; L469-F508 HydrophobicContact CG-CE1 4.1Å; L469-F508 HydrophobicContact CG-CE2 4.31Å; L469-F508 HydrophobicContact CG-CG 3.6Å; L469-F508 HydrophobicContact CG-CZ 4.39Å; L469-I517 HydrophobicContact CD1-CB 4.32Å; L469-I517 HydrophobicContact CD1-CD1 4.4Å; L469-I517 HydrophobicContact CD1-CG2 3.68Å |
| 470 | R | 94.9 | Very high | 93.1 | Very high | 36 Ų | 36 | 31.5 Ų | 31.5 | 14% | 0.136 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 127.9 | 165.4 | -174.9 | 175.7 | 73.1 | -143.6 | -5.2 | 109.3 | C443 M444 I476 W477 N479 E483 | C443-R470 CarbonylContact O-C 3.58Å; C443-R470 WeakPolarHBondContact O-CA 3.37Å; M444-R470 HydrophobicContact CG-CB 4.01Å; M444-R470 HydrophobicContact CG-CG 4.15Å; R470-I476 WeakPolarHBondContact O-CA 3.36Å; R470-W477 PolarHBondContact N-O 3.37Å; R470-W477 PolarHBondContact O-N 3.2Å; R470-N479 WeakPolarHBondContact CB-OD1 3.38Å; R470-E483 IonicContact CZ-OE1 3.99Å; R470-E483 IonicContact CZ-OE2 3.24Å; R470-E483 IonicContact NH1-OE1 3.69Å; R470-E483 PolarHBondContact NH1-OE1 3.27Å; R470-E483 IonicContact NH1-OE2 3.34Å; R470-E483 PolarHBondContact NH1-OE2 2.87Å; R470-E483 VanDerWaalsContact NH1-OE2 3.1Å; R470-E483 IonicContact NH2-OE1 3.7Å; R470-E483 IonicContact NH2-OE2 3.93Å; R470-E483 PolarHBondContact NH2-OE2 3.39Å |
| 471 | L | 93.9 | Very high | 93.1 | Very high | 10 Ų | 10 | 33.8 Ų | 33.8 | 5% | 0.052 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 127.9 | 173.5 | -49.6 | 172.7 | 0 | 0 | 0 | 107.9 | S442 C443 I476 P492 V495 | S442-L471 VanDerWaalsContact CA-O 3.26Å; S442-L471 WeakPolarHBondContact CA-O 3.46Å; S442-L471 WeakPolarHBondContact CB-O 3.48Å; C443-L471 PolarHBondContact N-O 3.3Å; C443-L471 PolarHBondContact O-N 2.85Å; L471-I476 HydrophobicContact CD2-CB 4.37Å; L471-I476 HydrophobicContact CD2-CD1 4.17Å; L471-I476 HydrophobicContact CD2-CG1 3.79Å; L471-I476 HydrophobicContact CD2-CG2 3.83Å; L471-P492 HydrophobicContact CD2-CG 4.38Å; L471-V495 HydrophobicContact CD1-CG2 4.07Å |
| 472 | S | 91.4 | Very high | 93 | Very high | 4 Ų | 4 | 33.3 Ų | 33.3 | 3% | 0.028 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 170.6 | 173.8 | 86.6 | 0 | 0 | 0 | 0 | 110.9 | E441 S474 G475 W477 R491 | E441-S472 WeakPolarHBondContact O-CB 3.46Å; S472-S474 PolarHBondContact O-N 2.97Å; S472-S474 PolarHBondContact OG-N 3.46Å; S472-S474 PolarHBondContact OG-OG 3.42Å; S472-G475 PolarHBondContact N-O 3.34Å; S472-G475 PolarHBondContact O-N 2.88Å; S472-G475 PolarHBondContact OG-N 3.22Å; S472-W477 WeakPolarHBondContact OG-CH2 3.47Å; S472-W477 WeakPolarHBondContact OG-CZ3 3.31Å; S472-R491 PolarHBondContact O-NH2 2.93Å; S472-R491 VanDerWaalsContact O-NH2 3.09Å |
| 473 | P | 87.3 | Confident | 92.8 | Very high | 62 Ų | 62 | 36.6 Ų | 36.6 | 40% | 0.403 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -32.4 | 169.8 | -24.6 | 33.8 | 0 | 0 | 0 | 113.9 | E441 R491 W536 | E441-P473 HydrophobicContact CB-CG 4.46Å; E441-P473 WeakPolarHBondContact O-CD 2.88Å; P473-R491 VanDerWaalsContact C-NH2 3.3Å; P473-R491 PolarHBondContact O-NH2 3.42Å; P473-W536 HydrophobicContact CG-CH2 4.09Å; P473-W536 HydrophobicContact CG-CZ2 3.63Å |
| 474 | S | 87.7 | Confident | 92.9 | Very high | 79 Ų | 79 | 32.3 Ų | 32.3 | 55% | 0.552 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -9.7 | -177.6 | 48.7 | 0 | 0 | 0 | 0 | 114.2 | S472 W477 | S472-S474 PolarHBondContact O-N 2.97Å; S472-S474 PolarHBondContact OG-N 3.46Å; S472-S474 PolarHBondContact OG-OG 3.42Å; S474-W477 VanDerWaalsContact C-CH2 3.45Å; S474-W477 WeakPolarHBondContact OG-CH2 3.39Å |
| 475 | G | 90.9 | Very high | 93 | Very high | 12 Ų | 12 | 32.8 Ų | 32.8 | 12% | 0.124 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 153.5 | -159.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | S472 W477 | S472-G475 PolarHBondContact N-O 3.34Å; S472-G475 PolarHBondContact O-N 2.88Å; S472-G475 PolarHBondContact OG-N 3.22Å; G475-W477 VanDerWaalsContact CA-CH2 3.41Å; G475-W477 WeakPolarHBondContact O-CZ3 3.2Å |
| 476 | I | 93.9 | Very high | 92.9 | Very high | 6 Ų | 6 | 33.9 Ų | 33.9 | 3% | 0.031 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 136.3 | 179.9 | -59.9 | 165.8 | 0 | 0 | 0 | 107.9 | R470 L471 L486 P488 P492 | R470-I476 WeakPolarHBondContact O-CA 3.36Å; L471-I476 HydrophobicContact CD2-CB 4.37Å; L471-I476 HydrophobicContact CD2-CD1 4.17Å; L471-I476 HydrophobicContact CD2-CG1 3.79Å; L471-I476 HydrophobicContact CD2-CG2 3.83Å; I476-L486 HydrophobicContact CB-CB 4.42Å; I476-L486 HydrophobicContact CG2-CB 4.27Å; I476-L486 HydrophobicContact CG2-CD1 4.18Å; I476-L486 PolarHBondContact O-N 3.23Å; I476-P488 HydrophobicContact CD1-CG 3.54Å; I476-P492 HydrophobicContact CD1-CG 3.87Å |
| 477 | W | 95.3 | Very high | 92.6 | Very high | 31 Ų | 31 | 41.7 Ų | 41.7 | 12% | 0.117 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 140.2 | 179 | -62.2 | -103.2 | 0 | 0 | 0 | 110.6 | L469 R470 S472 S474 G475 A484 Q485 | L469-W477 CarbonylContact C-O 3.54Å; L469-W477 WeakPolarHBondContact CA-O 3.28Å; R470-W477 PolarHBondContact N-O 3.37Å; R470-W477 PolarHBondContact O-N 3.2Å; S472-W477 WeakPolarHBondContact OG-CH2 3.47Å; S472-W477 WeakPolarHBondContact OG-CZ3 3.31Å; S474-W477 VanDerWaalsContact C-CH2 3.45Å; S474-W477 WeakPolarHBondContact OG-CH2 3.39Å; G475-W477 VanDerWaalsContact CA-CH2 3.41Å; G475-W477 WeakPolarHBondContact O-CZ3 3.2Å; W477-A484 CarbonylContact C-O 3.55Å; W477-A484 VanDerWaalsContact CA-O 3.27Å; W477-A484 WeakPolarHBondContact CA-O 3.37Å; W477-Q485 HydrophobicContact CZ2-CG 4.36Å |
| 478 | A | 96.2 | Very high | 92 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 126.6 | 156 | 0 | 0 | 0 | 0 | 0 | 108.1 | L469 T480 A484 L486 Y518 F520 | L469-A478 HydrophobicContact CD2-CB 3.98Å; A478-T480 HydrophobicContact CB-CG2 4.34Å; A478-T480 PolarHBondContact O-N 2.97Å; A478-T480 PolarHBondContact O-OG1 3.02Å; A478-A484 HydrophobicContact CB-CB 4.39Å; A478-A484 PolarHBondContact N-O 2.85Å; A478-A484 PolarHBondContact O-N 3.32Å; A478-A484 VanDerWaalsContact O-N 3.08Å; A478-L486 HydrophobicContact CB-CD1 4.14Å; A478-Y518 HydrophobicContact CB-CD1 3.7Å; A478-Y518 HydrophobicContact CB-CD2 4.17Å; A478-Y518 HydrophobicContact CB-CE1 3.66Å; A478-Y518 HydrophobicContact CB-CE2 4.14Å; A478-Y518 HydrophobicContact CB-CG 3.96Å; A478-F520 HydrophobicContact CB-CE1 4.47Å; A478-F520 HydrophobicContact CB-CE2 4.43Å; A478-F520 HydrophobicContact CB-CZ 3.84Å |
| 479 | N | 92.8 | Very high | 91.2 | Very high | 9 Ų | 9 | 46 Ų | 46 | 5% | 0.048 | 26% | 0.261 | C | S | . | . | trans | -72.6 | 71.3 | 174 | -79 | 39.4 | 0 | 0 | 0 | 109.4 | M444 L460 P462 A468 R470 | M444-N479 HydrophobicContact CE-CB 4.41Å; M444-N479 WeakPolarHBondContact CE-ND2 3.31Å; L460-N479 WeakPolarHBondContact O-CB 3.25Å; L460-N479 PolarHBondContact O-ND2 3.34Å; L460-N479 VanDerWaalsContact O-ND2 3.08Å; P462-N479 WeakPolarHBondContact CD-O 3.08Å; P462-N479 WeakPolarHBondContact CG-O 3.39Å; A468-N479 PolarHBondContact O-N 2.97Å; R470-N479 WeakPolarHBondContact CB-OD1 3.38Å | ||
| 480 | T | 93.5 | Very high | 90.7 | Very high | 28 Ų | 28 | 49.6 Ų | 49.6 | 17% | 0.172 | 28% | 0.28 | C | S | . | . | trans | -98.1 | 177.6 | 169 | 47.4 | 0 | 0 | 0 | 0 | 110.1 | A478 P482 E483 A484 Y518 F520 | A478-T480 HydrophobicContact CB-CG2 4.34Å; A478-T480 PolarHBondContact O-N 2.97Å; A478-T480 PolarHBondContact O-OG1 3.02Å; T480-P482 CarbonylContact C-O 3.42Å; T480-P482 VanDerWaalsContact CB-O 3.29Å; T480-P482 WeakPolarHBondContact CB-O 2.99Å; T480-P482 CarbonylContact O-C 3.52Å; T480-P482 PolarHBondContact OG1-O 3.42Å; T480-E483 WeakPolarHBondContact O-CA 3.5Å; T480-E483 PolarHBondContact O-N 3.48Å; T480-A484 PolarHBondContact OG1-N 2.91Å; T480-Y518 HydrophobicContact CG2-CE1 4.36Å; T480-Y518 WeakPolarHBondContact CG2-OH 3.45Å; T480-F520 HydrophobicContact CG2-CD1 4.22Å; T480-F520 HydrophobicContact CG2-CE1 3.62Å; T480-F520 HydrophobicContact CG2-CZ 4.46Å | ||
| 481 | S | 87.6 | Confident | 90.4 | Very high | 70 Ų | 70 | 53.1 Ų | 53.1 | 49% | 0.49 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -119.6 | 103.2 | 171 | -178.2 | 0 | 0 | 0 | 0 | 109.8 | ||
| 482 | P | 89.6 | Confident | 90.2 | Very high | 116 Ų | 116 | 52.9 Ų | 52.9 | 75% | 0.753 | 29% | 0.292 | S | S | * | . | S | Bend | cis | -70.1 | 162.6 | -1.3 | 31.7 | -36.4 | 0 | 0 | 0 | 113 | T480 | T480-P482 CarbonylContact C-O 3.42Å; T480-P482 VanDerWaalsContact CB-O 3.29Å; T480-P482 WeakPolarHBondContact CB-O 2.99Å; T480-P482 CarbonylContact O-C 3.52Å; T480-P482 PolarHBondContact OG1-O 3.42Å |
| 483 | E | 89.2 | Confident | 90.3 | Very high | 90 Ų | 90 | 57.3 Ų | 57.3 | 42% | 0.421 | 31% | 0.309 | S | S | . | . | trans | -60.3 | 137.1 | 174.6 | -69.1 | -171.1 | 157.8 | 0 | 0 | 109.9 | R470 T480 | R470-E483 IonicContact CZ-OE1 3.99Å; R470-E483 IonicContact CZ-OE2 3.24Å; R470-E483 IonicContact NH1-OE1 3.69Å; R470-E483 PolarHBondContact NH1-OE1 3.27Å; R470-E483 IonicContact NH1-OE2 3.34Å; R470-E483 PolarHBondContact NH1-OE2 2.87Å; R470-E483 VanDerWaalsContact NH1-OE2 3.1Å; R470-E483 IonicContact NH2-OE1 3.7Å; R470-E483 IonicContact NH2-OE2 3.93Å; R470-E483 PolarHBondContact NH2-OE2 3.39Å; T480-E483 WeakPolarHBondContact O-CA 3.5Å; T480-E483 PolarHBondContact O-N 3.48Å | ||
| 484 | A | 93.3 | Very high | 90.6 | Very high | 31 Ų | 31 | 57.6 Ų | 57.6 | 26% | 0.256 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 113.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | W477 A478 T480 | W477-A484 CarbonylContact C-O 3.55Å; W477-A484 VanDerWaalsContact CA-O 3.27Å; W477-A484 WeakPolarHBondContact CA-O 3.37Å; A478-A484 HydrophobicContact CB-CB 4.39Å; A478-A484 PolarHBondContact N-O 2.85Å; A478-A484 PolarHBondContact O-N 3.32Å; A478-A484 VanDerWaalsContact O-N 3.08Å; T480-A484 PolarHBondContact OG1-N 2.91Å |
| 485 | Q | 94.6 | Very high | 91 | Very high | 95 Ų | 95 | 54 Ų | 54 | 44% | 0.444 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 137.9 | 171.9 | -168 | 173.3 | 12.1 | 0 | 0 | 110.2 | W477 F487 | W477-Q485 HydrophobicContact CZ2-CG 4.36Å; Q485-F487 HydrophobicContact CB-CE2 4.34Å; Q485-F487 HydrophobicContact CB-CZ 4.32Å; Q485-F487 HydrophobicContact CG-CE1 4.2Å; Q485-F487 HydrophobicContact CG-CE2 4.11Å; Q485-F487 HydrophobicContact CG-CZ 3.72Å |
| 486 | L | 92.5 | Very high | 91.2 | Very high | 23 Ų | 23 | 53.4 Ų | 53.4 | 12% | 0.12 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 142.5 | -174.8 | -53.8 | 179.2 | 0 | 0 | 0 | 109.9 | L469 I476 A478 P488 I517 Y518 | L469-L486 HydrophobicContact CD2-CD1 3.67Å; I476-L486 HydrophobicContact CB-CB 4.42Å; I476-L486 HydrophobicContact CG2-CB 4.27Å; I476-L486 HydrophobicContact CG2-CD1 4.18Å; I476-L486 PolarHBondContact O-N 3.23Å; A478-L486 HydrophobicContact CB-CD1 4.14Å; L486-P488 WeakPolarHBondContact O-CD 3.3Å; L486-I517 HydrophobicContact CD1-CG2 3.72Å; L486-Y518 HydrophobicContact CD1-CD2 4.24Å; L486-Y518 HydrophobicContact CD1-CG 4.17Å; L486-Y518 HydrophobicContact CD2-CD2 3.69Å; L486-Y518 HydrophobicContact CD2-CE2 4.28Å; L486-Y518 HydrophobicContact CD2-CG 4.43Å |
| 487 | F | 88.5 | Confident | 91.3 | Very high | 165 Ų | 165 | 53.1 Ų | 53.1 | 72% | 0.724 | 27% | 0.268 | S | S | * | . | trans | -125.6 | 71.6 | -177.4 | -55.9 | -84.5 | 0 | 0 | 0 | 109.4 | Q485 | Q485-F487 HydrophobicContact CB-CE2 4.34Å; Q485-F487 HydrophobicContact CB-CZ 4.32Å; Q485-F487 HydrophobicContact CG-CE1 4.2Å; Q485-F487 HydrophobicContact CG-CE2 4.11Å; Q485-F487 HydrophobicContact CG-CZ 3.72Å | ||
| 488 | P | 84.8 | Confident | 91.3 | Very high | 28 Ų | 28 | 51.8 Ų | 51.8 | 18% | 0.182 | 26% | 0.264 | C | S | . | . | trans | -65 | 153.6 | 172.3 | 30.2 | -33.3 | 0 | 0 | 0 | 109.9 | I476 L486 L490 | I476-P488 HydrophobicContact CD1-CG 3.54Å; L486-P488 WeakPolarHBondContact O-CD 3.3Å; P488-L490 VanDerWaalsContact C-N 3.27Å; P488-L490 PolarHBondContact O-N 2.8Å | ||
| 489 | V | 81.4 | Confident | 91.3 | Very high | 72 Ų | 72 | 51.8 Ų | 51.8 | 44% | 0.436 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -65.8 | -35.6 | -176.7 | -179.8 | 0 | 0 | 0 | 0 | 111.5 | E515 | V489-E515 PolarHBondContact N-OE2 3.26Š|
| 490 | L | 85.5 | Confident | 91.5 | Very high | 75 Ų | 75 | 52.2 Ų | 52.2 | 39% | 0.393 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -123.7 | 135.5 | 174 | -65.5 | 172.9 | 0 | 0 | 0 | 109.1 | P488 N510 | P488-L490 VanDerWaalsContact C-N 3.27Å; P488-L490 PolarHBondContact O-N 2.8Å; L490-N510 PolarHBondContact O-ND2 2.79Å; L490-N510 VanDerWaalsContact O-ND2 3.12Å |
| 491 | R | 88 | Confident | 91.7 | Very high | 110 Ų | 110 | 52.5 Ų | 52.5 | 42% | 0.415 | 27% | 0.265 | S | S | . | . | trans | -63.4 | 121.8 | 173.8 | -179.1 | 170.8 | -108.8 | 152.4 | -4.6 | 109.1 | S472 P473 R493 | S472-R491 PolarHBondContact O-NH2 2.93Å; S472-R491 VanDerWaalsContact O-NH2 3.09Å; P473-R491 VanDerWaalsContact C-NH2 3.3Å; P473-R491 PolarHBondContact O-NH2 3.42Å; R491-R493 PolarHBondContact O-N 3.26Å | ||
| 492 | P | 91.2 | Very high | 92 | Very high | 5 Ų | 5 | 55 Ų | 55 | 3% | 0.032 | 27% | 0.269 | C | S | . | . | trans | -75.6 | 122.9 | -175.5 | 30 | -31.4 | 0 | 0 | 0 | 110.7 | L471 I476 V495 N510 I517 | L471-P492 HydrophobicContact CD2-CG 4.38Å; I476-P492 HydrophobicContact CD1-CG 3.87Å; P492-V495 HydrophobicContact CB-CG2 4.02Å; P492-V495 HydrophobicContact CG-CG2 4.09Å; P492-N510 WeakPolarHBondContact CA-ND2 3.24Å; P492-N510 HydrophobicContact CB-CB 4.01Å; P492-I517 HydrophobicContact CB-CD1 4.25Å; P492-I517 HydrophobicContact CG-CD1 4Å | ||
| 493 | R | 91.7 | Very high | 92.3 | Very high | 97 Ų | 97 | 51.7 Ų | 51.7 | 37% | 0.366 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -82.6 | -25.1 | 161.6 | -62.3 | -179.7 | 173.5 | -164.2 | -2.4 | 110.7 | E379 L380 R491 E512 | E379-R493 CarbonylContact C-O 3.46Å; E379-R493 WeakPolarHBondContact CA-O 3.37Å; L380-R493 PolarHBondContact N-O 3.49Å; R491-R493 PolarHBondContact O-N 3.26Å; R493-E512 WeakPolarHBondContact CB-OE1 3.46Å; R493-E512 PolarHBondContact N-OE2 3.25Å; R493-E512 VanDerWaalsContact N-OE2 3.15Å |
| 494 | R | 94.7 | Very high | 92.7 | Very high | 68 Ų | 68 | 47.7 Ų | 47.7 | 26% | 0.257 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 127.2 | 174.3 | -162.5 | -179.8 | -56.1 | 162.4 | 4.1 | 112.1 | E377 V378 E379 A511 E512 | E377-R494 HydrophobicContact CB-CG 4.19Å; E377-R494 WeakPolarHBondContact OE2-CD 3.27Å; E377-R494 IonicContact OE2-NE 2.77Å; E377-R494 IonicContact OE2-NH1 3.99Å; V378-R494 CarbonylContact O-C 3.59Å; V378-R494 WeakPolarHBondContact O-CA 3.27Å; E379-R494 HydrophobicContact CB-CG 4.08Å; E379-R494 IonicContact OE1-CZ 3.14Å; E379-R494 IonicContact OE1-NE 3.65Å; E379-R494 PolarHBondContact OE1-NE 2.99Å; E379-R494 IonicContact OE1-NH2 3.64Å; E379-R494 PolarHBondContact OE1-NH2 3.38Å; E379-R494 IonicContact OE2-NH2 2.68Å; R494-A511 HydrophobicContact CB-CB 4Å; R494-A511 HydrophobicContact CG-CB 3.8Å; R494-A511 PolarHBondContact O-N 3.37Å; R494-E512 HydrophobicContact CB-CG 4.19Å |
| 495 | V | 95.6 | Very high | 92.8 | Very high | 2 Ų | 2 | 47.4 Ų | 47.4 | 1% | 0.012 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 120.6 | 179.2 | -178 | 0 | 0 | 0 | 0 | 109.8 | E377 V378 V445 L471 P492 I497 F508 T509 | E377-V495 CarbonylContact C-O 3.58Å; E377-V495 WeakPolarHBondContact CA-O 3.29Å; V378-V495 PolarHBondContact N-O 2.87Å; V378-V495 PolarHBondContact O-N 3.48Å; V445-V495 HydrophobicContact CG2-CB 4.02Å; V445-V495 HydrophobicContact CG2-CG1 3.88Å; V445-V495 HydrophobicContact CG2-CG2 4.23Å; L471-V495 HydrophobicContact CD1-CG2 4.07Å; P492-V495 HydrophobicContact CB-CG2 4.02Å; P492-V495 HydrophobicContact CG-CG2 4.09Å; V495-I497 HydrophobicContact CG1-CG1 4.36Å; V495-F508 HydrophobicContact CG1-CB 4.49Å; V495-F508 HydrophobicContact CG1-CD1 3.88Å; V495-T509 CarbonylContact C-O 3.08Å; V495-T509 WeakPolarHBondContact CA-O 3.45Å |
| 496 | G | 95.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 130.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y375 F508 T509 | Y375-G496 VanDerWaalsContact CE2-CA 3.44Å; Y375-G496 VanDerWaalsContact OH-CA 3.27Å; Y375-G496 WeakPolarHBondContact OH-CA 3.5Å; G496-F508 CarbonylContact O-C 3.32Å; G496-F508 WeakPolarHBondContact O-CA 3.47Å; G496-T509 WeakPolarHBondContact CA-OG1 3.12Å; G496-T509 PolarHBondContact N-O 3.15Å; G496-T509 PolarHBondContact O-N 3.07Å; G496-T509 PolarHBondContact O-OG1 3.49Å |
| 497 | I | 96.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 114.5 | -178.4 | -56 | 169.8 | 0 | 0 | 0 | 108.6 | Y375 W376 V378 V445 V447 V495 V506 F508 | Y375-I497 VanDerWaalsContact CA-O 3.31Å; Y375-I497 WeakPolarHBondContact CA-O 3.47Å; Y375-I497 VanDerWaalsContact CD2-O 3.32Å; Y375-I497 WeakPolarHBondContact CD2-O 3.36Å; W376-I497 HydrophobicContact CD2-CB 4.34Å; W376-I497 HydrophobicContact CH2-CG2 3.92Å; W376-I497 HydrophobicContact CZ2-CB 4Å; W376-I497 HydrophobicContact CZ2-CD1 4.33Å; W376-I497 HydrophobicContact CZ2-CG2 3.53Å; W376-I497 PolarHBondContact N-O 2.85Å; W376-I497 VanDerWaalsContact N-O 3.11Å; W376-I497 PolarHBondContact O-N 3.15Å; V378-I497 HydrophobicContact CG2-CD1 3.68Å; V445-I497 HydrophobicContact CB-CD1 4.17Å; V445-I497 HydrophobicContact CG2-CD1 4.48Å; V447-I497 HydrophobicContact CG1-CG2 4.37Å; V495-I497 HydrophobicContact CG1-CG1 4.36Å; I497-V506 HydrophobicContact CG2-CG1 4.3Å; I497-F508 HydrophobicContact CD1-CE1 4.26Å; I497-F508 HydrophobicContact CG1-CD1 3.98Å; I497-F508 HydrophobicContact CG1-CE1 3.85Å; I497-F508 HydrophobicContact CG2-CE1 4.27Å |
| 498 | A | 95.6 | Very high | 93.4 | Very high | 3 Ų | 3 | 34.5 Ų | 34.5 | 3% | 0.025 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 119.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110 | Y316 V374 Y375 V506 T507 | Y316-A498 HydrophobicContact CD1-CB 3.88Å; Y316-A498 HydrophobicContact CD2-CB 4.28Å; Y316-A498 HydrophobicContact CE1-CB 3.66Å; Y316-A498 HydrophobicContact CE2-CB 4.06Å; Y316-A498 HydrophobicContact CG-CB 4.21Å; V374-A498 WeakPolarHBondContact O-CA 3.49Å; Y375-A498 HydrophobicContact CD2-CB 4Å; A498-V506 CarbonylContact O-C 3.57Å; A498-V506 WeakPolarHBondContact O-CA 3.19Å; A498-T507 PolarHBondContact N-O 2.76Å; A498-T507 PolarHBondContact O-N 2.76Å |
| 499 | L | 96.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 118.5 | 175.6 | 168.5 | 65.2 | 0 | 0 | 0 | 109.5 | F369 K373 V374 W376 V506 F524 L528 | F369-L499 HydrophobicContact CB-CD2 3.85Å; F369-L499 HydrophobicContact CD2-CD2 4.06Å; F369-L499 HydrophobicContact CG-CD2 4.23Å; K373-L499 CarbonylContact C-O 3.58Å; K373-L499 VanDerWaalsContact CA-O 3.29Å; K373-L499 WeakPolarHBondContact CA-O 3.45Å; V374-L499 HydrophobicContact CG2-CB 3.93Å; V374-L499 HydrophobicContact CG2-CD2 4.18Å; V374-L499 HydrophobicContact CG2-CG 4.35Å; V374-L499 PolarHBondContact N-O 3.28Å; V374-L499 PolarHBondContact O-N 2.93Å; W376-L499 HydrophobicContact CH2-CB 4.49Å; W376-L499 HydrophobicContact CZ3-CB 4.4Å; L499-V506 HydrophobicContact CD1-CG2 3.71Å; L499-F524 HydrophobicContact CD1-CD2 4.26Å; L499-F524 HydrophobicContact CD1-CE2 3.69Å; L499-F524 HydrophobicContact CD1-CZ 4.11Å; L499-L528 HydrophobicContact CD1-CD1 3.63Å; L499-L528 HydrophobicContact CD2-CB 4.21Å; L499-L528 HydrophobicContact CD2-CD1 4.11Å |
| 500 | D | 96.2 | Very high | 94.3 | Very high | 18 Ų | 18 | 30 Ų | 30 | 10% | 0.096 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 98.3 | 166.4 | -175.1 | -7.4 | 0 | 0 | 0 | 108.2 | Y316 K373 G503 G504 T505 | Y316-D500 HydrophobicContact CE1-CB 4.22Å; K373-D500 VanDerWaalsContact CE-CG 3.45Å; K373-D500 WeakPolarHBondContact CE-OD2 3.34Å; K373-D500 HydrophobicContact CG-CB 4.2Å; K373-D500 IonicContact NZ-OD2 3.1Å; K373-D500 PolarHBondContact NZ-OD2 3.3Å; D500-G503 WeakPolarHBondContact OD1-CA 3.29Å; D500-G503 PolarHBondContact OD1-N 3.29Å; D500-G504 PolarHBondContact O-N 3.35Å; D500-T505 WeakPolarHBondContact CB-OG1 3.43Å; D500-T505 PolarHBondContact N-O 3.37Å; D500-T505 PolarHBondContact O-N 3.19Å |
| 501 | Y | 96.9 | Very high | 94.6 | Very high | 34 Ų | 34 | 26.9 Ų | 26.9 | 13% | 0.133 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -46.3 | -172.5 | -168.9 | -86.1 | 0 | 0 | 0 | 112 | T370 G372 G504 F524 R526 L528 | T370-Y501 VanDerWaalsContact C-CD1 3.41Å; T370-Y501 VanDerWaalsContact O-CD1 3.22Å; T370-Y501 WeakPolarHBondContact O-CD1 3.33Å; T370-Y501 WeakPolarHBondContact O-CE1 3.46Å; G372-Y501 PolarHBondContact O-N 2.97Å; Y501-G504 PolarHBondContact O-N 2.91Å; Y501-F524 HydrophobicContact CD2-CB 4.13Å; Y501-F524 HydrophobicContact CD2-CD2 4.29Å; Y501-F524 HydrophobicContact CD2-CG 4.49Å; Y501-F524 HydrophobicContact CE1-CB 4.32Å; Y501-F524 HydrophobicContact CE2-CB 3.7Å; Y501-F524 HydrophobicContact CE2-CG 4.44Å; Y501-F524 WeakPolarHBondContact O-CD2 3.49Å; Y501-R526 VanDerWaalsContact CE2-O 3.3Å; Y501-R526 WeakPolarHBondContact CE2-O 3.46Å; Y501-R526 PolarHBondContact OH-N 3.17Å; Y501-R526 PolarHBondContact OH-O 3.3Å; Y501-L528 HydrophobicContact CE2-CG 4.3Å |
| 502 | E | 95.4 | Very high | 94.6 | Very high | 123 Ų | 123 | 26 Ų | 26 | 58% | 0.575 | 13% | 0.133 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -37 | -180 | -65.7 | 86.9 | 164.3 | 0 | 0 | 112.2 | W371 G372 G504 | W371-E502 WeakPolarHBondContact CA-OE1 3.49Å; W371-E502 WeakPolarHBondContact CB-OE1 3.26Å; G372-E502 WeakPolarHBondContact CA-OE2 3.44Å; G372-E502 PolarHBondContact N-OE1 2.92Å; G372-E502 PolarHBondContact N-OE2 3.25Å; E502-G504 PolarHBondContact O-N 2.97Å |
| 503 | G | 95.2 | Very high | 94.4 | Very high | 46 Ų | 46 | 26.4 Ų | 26.4 | 47% | 0.474 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -14.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | D500 | D500-G503 WeakPolarHBondContact OD1-CA 3.29Å; D500-G503 PolarHBondContact OD1-N 3.29Å |
| 504 | G | 96.6 | Very high | 94.1 | Very high | 6 Ų | 6 | 23.4 Ų | 23.4 | 6% | 0.062 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.3 | 33.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | D500 Y501 E502 T521 T522 F524 | D500-G504 PolarHBondContact O-N 3.35Å; Y501-G504 PolarHBondContact O-N 2.91Å; E502-G504 PolarHBondContact O-N 2.97Å; G504-T521 CarbonylContact O-C 3.3Å; G504-T521 VanDerWaalsContact O-CA 3.31Å; G504-T521 WeakPolarHBondContact O-CA 3.19Å; G504-T522 CarbonylContact C-O 3.49Å; G504-T522 WeakPolarHBondContact CA-O 3.42Å; G504-T522 PolarHBondContact O-N 2.79Å; G504-F524 VanDerWaalsContact C-CE2 3.44Å |
| 505 | T | 96.8 | Very high | 93.8 | Very high | 25 Ų | 25 | 20.6 Ų | 20.6 | 15% | 0.153 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 145 | -179.1 | 69.1 | 0 | 0 | 0 | 0 | 113.7 | D500 T519 F520 T521 | D500-T505 WeakPolarHBondContact CB-OG1 3.43Å; D500-T505 PolarHBondContact N-O 3.37Å; D500-T505 PolarHBondContact O-N 3.19Å; T505-T519 HydrophobicContact CG2-CG2 4.18Å; T505-F520 CarbonylContact C-O 3.51Å; T505-F520 WeakPolarHBondContact CA-O 3.42Å; T505-T521 HydrophobicContact CG2-CG2 4.31Å |
| 506 | V | 96.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 113.5 | 165.4 | 177.5 | 0 | 0 | 0 | 0 | 107.1 | V447 W467 I497 A498 L499 F508 T519 F520 F524 | V447-V506 HydrophobicContact CG2-CB 4.36Å; V447-V506 HydrophobicContact CG2-CG1 4.03Å; V447-V506 HydrophobicContact CG2-CG2 3.47Å; V447-V506 VanDerWaalsContact CG2-CG2 3.47Å; W467-V506 HydrophobicContact CB-CG2 4.47Å; I497-V506 HydrophobicContact CG2-CG1 4.3Å; A498-V506 CarbonylContact O-C 3.57Å; A498-V506 WeakPolarHBondContact O-CA 3.19Å; L499-V506 HydrophobicContact CD1-CG2 3.71Å; V506-F508 HydrophobicContact CB-CE2 4.48Å; V506-F508 HydrophobicContact CG1-CD2 4.32Å; V506-F508 HydrophobicContact CG1-CE2 3.52Å; V506-F508 HydrophobicContact CG1-CZ 3.73Å; V506-T519 CarbonylContact O-C 3.34Å; V506-T519 WeakPolarHBondContact O-CA 3.38Å; V506-F520 HydrophobicContact CB-CB 4.43Å; V506-F520 PolarHBondContact N-O 2.96Å; V506-F520 PolarHBondContact O-N 3.05Å; V506-F524 HydrophobicContact CG2-CE1 4.39Å; V506-F524 HydrophobicContact CG2-CE2 4.45Å; V506-F524 HydrophobicContact CG2-CZ 3.7Å |
| 507 | T | 95.2 | Very high | 93.2 | Very high | 13 Ų | 13 | 23.6 Ų | 23.6 | 8% | 0.08 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 132 | -174 | -65.2 | 0 | 0 | 0 | 0 | 110.4 | A498 T509 L516 Y518 T519 | A498-T507 PolarHBondContact N-O 2.76Å; A498-T507 PolarHBondContact O-N 2.76Å; T507-T509 HydrophobicContact CG2-CG2 4.48Å; T507-L516 HydrophobicContact CG2-CD1 3.17Å; T507-Y518 CarbonylContact C-O 3.57Å; T507-Y518 WeakPolarHBondContact CA-O 3.46Å; T507-T519 WeakPolarHBondContact CG2-OG1 3.26Å; T507-T519 VanDerWaalsContact OG1-CG2 3.31Å; T507-T519 WeakPolarHBondContact OG1-CG2 3.32Å; T507-T519 PolarHBondContact OG1-OG1 3.35Å |
| 508 | F | 94.9 | Very high | 93 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 134.7 | 179.2 | -65.6 | -89.7 | 0 | 0 | 0 | 109.9 | V445 L469 V495 G496 I497 V506 I517 Y518 F520 | V445-F508 WeakPolarHBondContact O-CE1 2.94Å; L469-F508 HydrophobicContact CB-CD1 4.46Å; L469-F508 HydrophobicContact CD1-CB 3.43Å; L469-F508 VanDerWaalsContact CD1-CB 3.43Å; L469-F508 HydrophobicContact CD1-CD1 3.74Å; L469-F508 HydrophobicContact CD1-CD2 4.29Å; L469-F508 HydrophobicContact CD1-CG 3.56Å; L469-F508 HydrophobicContact CD2-CD2 4.31Å; L469-F508 HydrophobicContact CD2-CG 4.39Å; L469-F508 HydrophobicContact CG-CB 4.04Å; L469-F508 HydrophobicContact CG-CD1 3.71Å; L469-F508 HydrophobicContact CG-CD2 3.92Å; L469-F508 HydrophobicContact CG-CE1 4.1Å; L469-F508 HydrophobicContact CG-CE2 4.31Å; L469-F508 HydrophobicContact CG-CG 3.6Å; L469-F508 HydrophobicContact CG-CZ 4.39Å; V495-F508 HydrophobicContact CG1-CB 4.49Å; V495-F508 HydrophobicContact CG1-CD1 3.88Å; G496-F508 CarbonylContact O-C 3.32Å; G496-F508 WeakPolarHBondContact O-CA 3.47Å; I497-F508 HydrophobicContact CD1-CE1 4.26Å; I497-F508 HydrophobicContact CG1-CD1 3.98Å; I497-F508 HydrophobicContact CG1-CE1 3.85Å; I497-F508 HydrophobicContact CG2-CE1 4.27Å; V506-F508 HydrophobicContact CB-CE2 4.48Å; V506-F508 HydrophobicContact CG1-CD2 4.32Å; V506-F508 HydrophobicContact CG1-CE2 3.52Å; V506-F508 HydrophobicContact CG1-CZ 3.73Å; F508-I517 HydrophobicContact CB-CB 4.33Å; F508-I517 PolarHBondContact O-N 3.26Å; F508-Y518 PolarHBondContact N-O 2.93Å; F508-Y518 PolarHBondContact O-N 3.46Å; F508-F520 HydrophobicContact CD2-CD2 4.09Å; F508-F520 HydrophobicContact CD2-CE2 4.04Å; F508-F520 AromaticContact CE2-CD2 3.56Å; F508-F520 HydrophobicContact CE2-CD2 3.56Å; F508-F520 AromaticContact CE2-CE2 3.49Å; F508-F520 HydrophobicContact CE2-CE2 3.49Å; F508-F520 VanDerWaalsContact CE2-CE2 3.49Å; F508-F520 HydrophobicContact CZ-CE2 4.4Å |
| 509 | T | 93.1 | Very high | 93 | Very high | 5 Ų | 5 | 28.8 Ų | 28.8 | 3% | 0.031 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 147.2 | 179.6 | 50.1 | 0 | 0 | 0 | 0 | 109.9 | V495 G496 T507 A511 E515 L516 I517 | V495-T509 CarbonylContact C-O 3.08Å; V495-T509 WeakPolarHBondContact CA-O 3.45Å; G496-T509 WeakPolarHBondContact CA-OG1 3.12Å; G496-T509 PolarHBondContact N-O 3.15Å; G496-T509 PolarHBondContact O-N 3.07Å; G496-T509 PolarHBondContact O-OG1 3.49Å; T507-T509 HydrophobicContact CG2-CG2 4.48Å; T509-A511 PolarHBondContact O-N 3.43Å; T509-E515 CarbonylContact C-O 3.57Å; T509-E515 WeakPolarHBondContact CA-O 3.35Å; T509-E515 WeakPolarHBondContact CB-O 3.46Å; T509-L516 HydrophobicContact CG2-CD1 4.39Å; T509-I517 VanDerWaalsContact C-CD1 3.45Å |
| 510 | N | 92.1 | Very high | 93 | Very high | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 113.9 | 161.2 | 178.5 | -30.2 | 0 | 0 | 0 | 105.5 | L490 P492 E512 S513 Q514 E515 I517 | L490-N510 PolarHBondContact O-ND2 2.79Å; L490-N510 VanDerWaalsContact O-ND2 3.12Å; P492-N510 WeakPolarHBondContact CA-ND2 3.24Å; P492-N510 HydrophobicContact CB-CB 4.01Å; N510-E512 VanDerWaalsContact C-N 3.26Å; N510-E512 PolarHBondContact O-N 3.24Å; N510-E512 WeakPolarHBondContact OD1-CB 3.33Å; N510-E512 PolarHBondContact OD1-N 3.03Å; N510-S513 VanDerWaalsContact CB-OG 3.31Å; N510-S513 WeakPolarHBondContact CB-OG 3.39Å; N510-S513 PolarHBondContact ND2-OG 2.94Å; N510-S513 PolarHBondContact OD1-N 2.91Å; N510-Q514 CarbonylContact O-C 3.51Å; N510-Q514 WeakPolarHBondContact O-CA 3.46Å; N510-Q514 PolarHBondContact O-N 3.37Å; N510-E515 HydrophobicContact CB-CB 4.39Å; N510-E515 PolarHBondContact N-O 3.33Å; N510-I517 HydrophobicContact CB-CD1 4.04Å; N510-I517 HydrophobicContact CB-CG1 4.27Å; N510-I517 VanDerWaalsContact N-CD1 3.3Å |
| 511 | A | 91.8 | Very high | 93 | Very high | 8 Ų | 8 | 33.7 Ų | 33.7 | 7% | 0.066 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -21.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | E377 R494 T509 Q514 | E377-A511 HydrophobicContact CG-CB 4.02Å; R494-A511 HydrophobicContact CB-CB 4Å; R494-A511 HydrophobicContact CG-CB 3.8Å; R494-A511 PolarHBondContact O-N 3.37Å; T509-A511 PolarHBondContact O-N 3.43Å; A511-Q514 PolarHBondContact O-NE2 3.05Å |
| 512 | E | 89.4 | Confident | 92.9 | Very high | 93 Ų | 93 | 34.6 Ų | 34.6 | 44% | 0.435 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -55.6 | 177.6 | -64.5 | 161.2 | 144.4 | 0 | 0 | 109.9 | R493 R494 N510 Q514 | R493-E512 WeakPolarHBondContact CB-OE1 3.46Å; R493-E512 PolarHBondContact N-OE2 3.25Å; R493-E512 VanDerWaalsContact N-OE2 3.15Å; R494-E512 HydrophobicContact CB-CG 4.19Å; N510-E512 VanDerWaalsContact C-N 3.26Å; N510-E512 PolarHBondContact O-N 3.24Å; N510-E512 WeakPolarHBondContact OD1-CB 3.33Å; N510-E512 PolarHBondContact OD1-N 3.03Å; E512-Q514 VanDerWaalsContact C-N 3.33Å |
| 513 | S | 86.9 | Confident | 92.8 | Very high | 12 Ų | 12 | 34.5 Ų | 34.5 | 8% | 0.084 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -19.7 | -178.9 | 80.3 | 0 | 0 | 0 | 0 | 112.7 | Q305 N510 E515 | Q305-S513 WeakPolarHBondContact CB-O 3.24Å; Q305-S513 WeakPolarHBondContact CG-O 3.47Å; Q305-S513 PolarHBondContact NE2-O 3.34Å; Q305-S513 VanDerWaalsContact NE2-O 3.12Å; N510-S513 VanDerWaalsContact CB-OG 3.31Å; N510-S513 WeakPolarHBondContact CB-OG 3.39Å; N510-S513 PolarHBondContact ND2-OG 2.94Å; N510-S513 PolarHBondContact OD1-N 2.91Å; S513-E515 PolarHBondContact O-N 3.49Å; S513-E515 VanDerWaalsContact OG-CB 3.26Å; S513-E515 WeakPolarHBondContact OG-CB 3.44Å; S513-E515 PolarHBondContact OG-N 2.86Å |
| 514 | Q | 85.4 | Confident | 92.8 | Very high | 35 Ų | 35 | 33.1 Ų | 33.1 | 16% | 0.164 | 18% | 0.184 | C | C | . | . | trans | 72 | 6.8 | -174.4 | -46 | -87.8 | -68.5 | 0 | 0 | 113.8 | Q305 K309 R312 N510 A511 E512 | Q305-Q514 HydrophobicContact CB-CB 4.19Å; K309-Q514 HydrophobicContact CB-CB 4.47Å; K309-Q514 VanDerWaalsContact CB-OE1 3.26Å; R312-Q514 VanDerWaalsContact NH2-CD 3.34Å; N510-Q514 CarbonylContact O-C 3.51Å; N510-Q514 WeakPolarHBondContact O-CA 3.46Å; N510-Q514 PolarHBondContact O-N 3.37Å; A511-Q514 PolarHBondContact O-NE2 3.05Å; E512-Q514 VanDerWaalsContact C-N 3.33Å | ||
| 515 | E | 86.7 | Confident | 92.6 | Very high | 8 Ų | 8 | 38.2 Ų | 38.2 | 4% | 0.037 | 21% | 0.214 | C | C | . | . | trans | -66.2 | 136.6 | 179.1 | -178 | 178.9 | -164.3 | 0 | 0 | 111.6 | V489 T509 N510 S513 I517 | V489-E515 PolarHBondContact N-OE2 3.26Å; T509-E515 CarbonylContact C-O 3.57Å; T509-E515 WeakPolarHBondContact CA-O 3.35Å; T509-E515 WeakPolarHBondContact CB-O 3.46Å; N510-E515 HydrophobicContact CB-CB 4.39Å; N510-E515 PolarHBondContact N-O 3.33Å; S513-E515 PolarHBondContact O-N 3.49Å; S513-E515 VanDerWaalsContact OG-CB 3.26Å; S513-E515 WeakPolarHBondContact OG-CB 3.44Å; S513-E515 PolarHBondContact OG-N 2.86Å; E515-I517 PolarHBondContact O-N 3.17Å | ||
| 516 | L | 88.5 | Confident | 92.5 | Very high | 45 Ų | 45 | 43.7 Ų | 43.7 | 24% | 0.236 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 115.8 | 166.5 | 178.3 | 69.8 | 0 | 0 | 0 | 110.1 | T507 T509 | T507-L516 HydrophobicContact CG2-CD1 3.17Å; T509-L516 HydrophobicContact CG2-CD1 4.39Å |
| 517 | I | 90.7 | Very high | 92.5 | Very high | 21 Ų | 21 | 49.1 Ų | 49.1 | 11% | 0.108 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | -55.4 | 178.6 | -61.3 | 169.7 | 0 | 0 | 0 | 110.1 | L469 L486 P492 F508 T509 N510 E515 | L469-I517 HydrophobicContact CD1-CB 4.32Å; L469-I517 HydrophobicContact CD1-CD1 4.4Å; L469-I517 HydrophobicContact CD1-CG2 3.68Å; L486-I517 HydrophobicContact CD1-CG2 3.72Å; P492-I517 HydrophobicContact CB-CD1 4.25Å; P492-I517 HydrophobicContact CG-CD1 4Å; F508-I517 HydrophobicContact CB-CB 4.33Å; F508-I517 PolarHBondContact O-N 3.26Å; T509-I517 VanDerWaalsContact C-CD1 3.45Å; N510-I517 HydrophobicContact CB-CD1 4.04Å; N510-I517 HydrophobicContact CB-CG1 4.27Å; N510-I517 VanDerWaalsContact N-CD1 3.3Å; E515-I517 PolarHBondContact O-N 3.17Å |
| 518 | Y | 93 | Very high | 92.6 | Very high | 64 Ų | 64 | 48.6 Ų | 48.6 | 25% | 0.251 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.2 | 154.2 | -175.7 | -166.1 | -102.3 | 0 | 0 | 0 | 112.5 | A478 T480 L486 T507 F508 F520 | A478-Y518 HydrophobicContact CB-CD1 3.7Å; A478-Y518 HydrophobicContact CB-CD2 4.17Å; A478-Y518 HydrophobicContact CB-CE1 3.66Å; A478-Y518 HydrophobicContact CB-CE2 4.14Å; A478-Y518 HydrophobicContact CB-CG 3.96Å; T480-Y518 HydrophobicContact CG2-CE1 4.36Å; T480-Y518 WeakPolarHBondContact CG2-OH 3.45Å; L486-Y518 HydrophobicContact CD1-CD2 4.24Å; L486-Y518 HydrophobicContact CD1-CG 4.17Å; L486-Y518 HydrophobicContact CD2-CD2 3.69Å; L486-Y518 HydrophobicContact CD2-CE2 4.28Å; L486-Y518 HydrophobicContact CD2-CG 4.43Å; T507-Y518 CarbonylContact C-O 3.57Å; T507-Y518 WeakPolarHBondContact CA-O 3.46Å; F508-Y518 PolarHBondContact N-O 2.93Å; F508-Y518 PolarHBondContact O-N 3.46Å; Y518-F520 AromaticContact CD1-CD2 3.71Å; Y518-F520 HydrophobicContact CD1-CD2 3.71Å; Y518-F520 AromaticContact CD1-CE2 3.6Å; Y518-F520 HydrophobicContact CD1-CE2 3.6Å; Y518-F520 HydrophobicContact CD1-CG 4.23Å; Y518-F520 HydrophobicContact CD1-CZ 4.04Å; Y518-F520 AromaticContact CE1-CD1 3.91Å; Y518-F520 HydrophobicContact CE1-CD1 3.91Å; Y518-F520 AromaticContact CE1-CD2 3.83Å; Y518-F520 HydrophobicContact CE1-CD2 3.83Å; Y518-F520 AromaticContact CE1-CE1 3.9Å; Y518-F520 HydrophobicContact CE1-CE1 3.9Å; Y518-F520 AromaticContact CE1-CE2 3.83Å; Y518-F520 HydrophobicContact CE1-CE2 3.83Å; Y518-F520 AromaticContact CE1-CG 3.89Å; Y518-F520 HydrophobicContact CE1-CG 3.89Å; Y518-F520 AromaticContact CE1-CZ 3.87Å; Y518-F520 HydrophobicContact CE1-CZ 3.87Å |
| 519 | T | 94.7 | Very high | 92.7 | Very high | 47 Ų | 47 | 49 Ų | 49 | 29% | 0.288 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 122.5 | 172.9 | -63 | 0 | 0 | 0 | 0 | 110.5 | T505 V506 T507 | T505-T519 HydrophobicContact CG2-CG2 4.18Å; V506-T519 CarbonylContact O-C 3.34Å; V506-T519 WeakPolarHBondContact O-CA 3.38Å; T507-T519 WeakPolarHBondContact CG2-OG1 3.26Å; T507-T519 VanDerWaalsContact OG1-CG2 3.31Å; T507-T519 WeakPolarHBondContact OG1-CG2 3.32Å; T507-T519 PolarHBondContact OG1-OG1 3.35Å |
| 520 | F | 96.6 | Very high | 92.9 | Very high | 10 Ų | 10 | 48.8 Ų | 48.8 | 4% | 0.044 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 140.2 | 164.4 | -65.4 | -94.7 | 0 | 0 | 0 | 109.7 | P462 W467 A478 T480 T505 V506 F508 Y518 | P462-F520 HydrophobicContact CG-CD1 4.17Å; P462-F520 HydrophobicContact CG-CE1 3.88Å; W467-F520 HydrophobicContact CB-CB 4.5Å; W467-F520 HydrophobicContact CB-CD1 4.49Å; W467-F520 HydrophobicContact CB-CD2 4.25Å; W467-F520 HydrophobicContact CB-CG 4.17Å; W467-F520 AromaticContact CD1-CD1 3.72Å; W467-F520 AromaticContact CD1-CG 3.82Å; W467-F520 HydrophobicContact CG-CB 4.44Å; W467-F520 HydrophobicContact CG-CG 4.41Å; A478-F520 HydrophobicContact CB-CE1 4.47Å; A478-F520 HydrophobicContact CB-CE2 4.43Å; A478-F520 HydrophobicContact CB-CZ 3.84Å; T480-F520 HydrophobicContact CG2-CD1 4.22Å; T480-F520 HydrophobicContact CG2-CE1 3.62Å; T480-F520 HydrophobicContact CG2-CZ 4.46Å; T505-F520 CarbonylContact C-O 3.51Å; T505-F520 WeakPolarHBondContact CA-O 3.42Å; V506-F520 HydrophobicContact CB-CB 4.43Å; V506-F520 PolarHBondContact N-O 2.96Å; V506-F520 PolarHBondContact O-N 3.05Å; F508-F520 HydrophobicContact CD2-CD2 4.09Å; F508-F520 HydrophobicContact CD2-CE2 4.04Å; F508-F520 AromaticContact CE2-CD2 3.56Å; F508-F520 HydrophobicContact CE2-CD2 3.56Å; F508-F520 AromaticContact CE2-CE2 3.49Å; F508-F520 HydrophobicContact CE2-CE2 3.49Å; F508-F520 VanDerWaalsContact CE2-CE2 3.49Å; F508-F520 HydrophobicContact CZ-CE2 4.4Å; Y518-F520 AromaticContact CD1-CD2 3.71Å; Y518-F520 HydrophobicContact CD1-CD2 3.71Å; Y518-F520 AromaticContact CD1-CE2 3.6Å; Y518-F520 HydrophobicContact CD1-CE2 3.6Å; Y518-F520 HydrophobicContact CD1-CG 4.23Å; Y518-F520 HydrophobicContact CD1-CZ 4.04Å; Y518-F520 AromaticContact CE1-CD1 3.91Å; Y518-F520 HydrophobicContact CE1-CD1 3.91Å; Y518-F520 AromaticContact CE1-CD2 3.83Å; Y518-F520 HydrophobicContact CE1-CD2 3.83Å; Y518-F520 AromaticContact CE1-CE1 3.9Å; Y518-F520 HydrophobicContact CE1-CE1 3.9Å; Y518-F520 AromaticContact CE1-CE2 3.83Å; Y518-F520 HydrophobicContact CE1-CE2 3.83Å; Y518-F520 AromaticContact CE1-CG 3.89Å; Y518-F520 HydrophobicContact CE1-CG 3.89Å; Y518-F520 AromaticContact CE1-CZ 3.87Å; Y518-F520 HydrophobicContact CE1-CZ 3.87Å |
| 521 | T | 96.2 | Very high | 93.2 | Very high | 112 Ų | 112 | 48.8 Ų | 48.8 | 69% | 0.687 | 25% | 0.251 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 127.7 | 175.5 | -55.1 | 0 | 0 | 0 | 0 | 109.7 | G504 T505 | G504-T521 CarbonylContact O-C 3.3Å; G504-T521 VanDerWaalsContact O-CA 3.31Å; G504-T521 WeakPolarHBondContact O-CA 3.19Å; T505-T521 HydrophobicContact CG2-CG2 4.31Å |
| 522 | T | 94.4 | Very high | 93.4 | Very high | 52 Ų | 52 | 48.6 Ų | 48.6 | 32% | 0.319 | 25% | 0.248 | S | C | . | . | trans | -164.9 | 171.7 | -179 | -166.4 | 0 | 0 | 0 | 0 | 111.2 | W467 G504 F524 | W467-T522 HydrophobicContact CZ2-CG2 3.62Å; G504-T522 CarbonylContact C-O 3.49Å; G504-T522 WeakPolarHBondContact CA-O 3.42Å; G504-T522 PolarHBondContact O-N 2.79Å; T522-F524 HydrophobicContact CG2-CD1 3.49Å; T522-F524 VanDerWaalsContact CG2-CD1 3.49Å; T522-F524 HydrophobicContact CG2-CE1 3.01Å; T522-F524 HydrophobicContact CG2-CE2 4.46Å; T522-F524 HydrophobicContact CG2-CG 4.4Å; T522-F524 HydrophobicContact CG2-CZ 3.55Å | ||
| 523 | T | 94.7 | Very high | 93.7 | Very high | 121 Ų | 121 | 45.1 Ų | 45.1 | 74% | 0.742 | 23% | 0.231 | S | C | * | . | trans | -98.5 | 109.7 | 174.9 | -53.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 524 | F | 94.1 | Very high | 94.1 | Very high | 18 Ų | 18 | 44.6 Ų | 44.6 | 8% | 0.079 | 23% | 0.227 | C | C | . | . | trans | -78.3 | 129.6 | 177.5 | -52.9 | -55.5 | 0 | 0 | 0 | 111.5 | W467 L499 Y501 G504 V506 T522 L528 | W467-F524 HydrophobicContact CD2-CE1 4.21Å; W467-F524 AromaticContact CE2-CE1 3.99Å; W467-F524 HydrophobicContact CE3-CE1 4.36Å; W467-F524 AromaticContact CH2-CD1 3.95Å; W467-F524 HydrophobicContact CH2-CD1 3.95Å; W467-F524 HydrophobicContact CH2-CE1 4Å; W467-F524 HydrophobicContact CZ2-CD1 4.14Å; W467-F524 AromaticContact CZ2-CE1 3.9Å; W467-F524 HydrophobicContact CZ2-CE1 3.9Å; W467-F524 HydrophobicContact CZ3-CD1 4.41Å; W467-F524 HydrophobicContact CZ3-CE1 4.27Å; L499-F524 HydrophobicContact CD1-CD2 4.26Å; L499-F524 HydrophobicContact CD1-CE2 3.69Å; L499-F524 HydrophobicContact CD1-CZ 4.11Å; Y501-F524 HydrophobicContact CD2-CB 4.13Å; Y501-F524 HydrophobicContact CD2-CD2 4.29Å; Y501-F524 HydrophobicContact CD2-CG 4.49Å; Y501-F524 HydrophobicContact CE1-CB 4.32Å; Y501-F524 HydrophobicContact CE2-CB 3.7Å; Y501-F524 HydrophobicContact CE2-CG 4.44Å; Y501-F524 WeakPolarHBondContact O-CD2 3.49Å; G504-F524 VanDerWaalsContact C-CE2 3.44Å; V506-F524 HydrophobicContact CG2-CE1 4.39Å; V506-F524 HydrophobicContact CG2-CE2 4.45Å; V506-F524 HydrophobicContact CG2-CZ 3.7Å; T522-F524 HydrophobicContact CG2-CD1 3.49Å; T522-F524 VanDerWaalsContact CG2-CD1 3.49Å; T522-F524 HydrophobicContact CG2-CE1 3.01Å; T522-F524 HydrophobicContact CG2-CE2 4.46Å; T522-F524 HydrophobicContact CG2-CG 4.4Å; T522-F524 HydrophobicContact CG2-CZ 3.55Å; F524-L528 HydrophobicContact CD1-CD1 3.56Å; F524-L528 HydrophobicContact CD1-CD2 4.38Å; F524-L528 HydrophobicContact CD1-CG 4.34Å; F524-L528 HydrophobicContact CD2-CD1 4.11Å; F524-L528 HydrophobicContact CE1-CD1 3.66Å; F524-L528 HydrophobicContact CE2-CD1 4.22Å; F524-L528 HydrophobicContact CG-CD1 3.8Å; F524-L528 HydrophobicContact CZ-CD1 4.03Å | ||
| 525 | T | 92.2 | Very high | 94.4 | Very high | 113 Ų | 113 | 46 Ų | 46 | 69% | 0.693 | 23% | 0.233 | S | C | * | . | trans | -121.3 | -9.7 | -179.3 | 53.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 526 | R | 94.1 | Very high | 94.6 | Very high | 140 Ų | 140 | 45.9 Ų | 45.9 | 53% | 0.528 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -130.2 | 167.9 | -177.3 | -67 | -165.4 | 173.4 | -149.2 | -4.3 | 110.3 | S451 Y501 L528 | S451-R526 PolarHBondContact OG-NH1 2.77Å; S451-R526 VanDerWaalsContact OG-NH1 3.07Å; Y501-R526 VanDerWaalsContact CE2-O 3.3Å; Y501-R526 WeakPolarHBondContact CE2-O 3.46Å; Y501-R526 PolarHBondContact OH-N 3.17Å; Y501-R526 PolarHBondContact OH-O 3.3Å; R526-L528 PolarHBondContact O-N 2.93Å |
| 527 | R | 96.9 | Very high | 94.6 | Very high | 114 Ų | 114 | 47.1 Ų | 47.1 | 43% | 0.43 | 24% | 0.243 | S | C | . | . | trans | -63.9 | 131.4 | 173.6 | 178.9 | -173.6 | -64.3 | -96 | 4.1 | 109.4 | G368 F369 T370 D450 | G368-R527 PolarHBondContact O-NH1 3.33Å; F369-R527 WeakPolarHBondContact O-CA 3.49Å; T370-R527 HydrophobicContact CG2-CB 3.62Å; T370-R527 HydrophobicContact CG2-CG 3.91Å; D450-R527 HydrophobicContact CB-CB 4.41Å; D450-R527 HydrophobicContact CB-CG 4.45Å; D450-R527 PolarHBondContact N-O 3.42Å; D450-R527 WeakPolarHBondContact OD2-CB 3.21Å | ||
| 528 | L | 97.8 | Very high | 94.3 | Very high | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.01 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 142 | 172.3 | -62.5 | -175.2 | 0 | 0 | 0 | 110 | G368 F369 V447 A448 K449 W467 L499 Y501 F524 R526 | G368-L528 CarbonylContact C-O 3.47Å; G368-L528 VanDerWaalsContact C-O 3.3Å; G368-L528 WeakPolarHBondContact CA-O 3.2Å; F369-L528 PolarHBondContact N-O 2.9Å; F369-L528 PolarHBondContact O-N 3.19Å; V447-L528 HydrophobicContact CG2-CD1 4.24Å; A448-L528 CarbonylContact O-C 3.44Å; A448-L528 VanDerWaalsContact O-CA 3.31Å; A448-L528 WeakPolarHBondContact O-CA 3.37Å; K449-L528 HydrophobicContact CG-CD2 4.04Å; W467-L528 HydrophobicContact CE3-CD2 4.2Å; W467-L528 HydrophobicContact CH2-CD2 4.12Å; W467-L528 HydrophobicContact CZ3-CD2 3.42Å; W467-L528 VanDerWaalsContact CZ3-CD2 3.42Å; L499-L528 HydrophobicContact CD1-CD1 3.63Å; L499-L528 HydrophobicContact CD2-CB 4.21Å; L499-L528 HydrophobicContact CD2-CD1 4.11Å; Y501-L528 HydrophobicContact CE2-CG 4.3Å; F524-L528 HydrophobicContact CD1-CD1 3.56Å; F524-L528 HydrophobicContact CD1-CD2 4.38Å; F524-L528 HydrophobicContact CD1-CG 4.34Å; F524-L528 HydrophobicContact CD2-CD1 4.11Å; F524-L528 HydrophobicContact CE1-CD1 3.66Å; F524-L528 HydrophobicContact CE2-CD1 4.22Å; F524-L528 HydrophobicContact CG-CD1 3.8Å; F524-L528 HydrophobicContact CZ-CD1 4.03Å; R526-L528 PolarHBondContact O-N 2.93Å |
| 529 | V | 97.5 | Very high | 94.2 | Very high | 8 Ų | 8 | 45.5 Ų | 45.5 | 5% | 0.048 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 148 | 175.6 | -70.5 | 0 | 0 | 0 | 0 | 108.8 | L364 V447 A448 D450 F531 | L364-V529 HydrophobicContact CB-CG2 4.12Å; L364-V529 HydrophobicContact CD1-CG2 4.25Å; L364-V529 HydrophobicContact CD2-CG2 3.74Å; L364-V529 HydrophobicContact CG-CG2 4.24Å; V447-V529 CarbonylContact C-O 3.54Å; V447-V529 VanDerWaalsContact CA-O 3.27Å; V447-V529 WeakPolarHBondContact CA-O 3.35Å; A448-V529 PolarHBondContact N-O 2.87Å; A448-V529 WeakPolarHBondContact O-CG2 3.45Å; A448-V529 PolarHBondContact O-N 2.67Å; D450-V529 HydrophobicContact CB-CG1 4.15Å; V529-F531 PolarHBondContact O-N 3.31Å |
| 530 | P | 97.7 | Very high | 94.2 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.006 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.1 | 141.2 | 166.2 | -27.5 | 38.1 | 0 | 0 | 0 | 110.1 | V321 L364 G365 K367 F369 W376 | V321-P530 HydrophobicContact CB-CG 4.45Å; V321-P530 HydrophobicContact CG1-CB 3.8Å; V321-P530 HydrophobicContact CG1-CG 3.53Å; V321-P530 HydrophobicContact CG2-CG 4Å; L364-P530 CarbonylContact C-O 3.44Å; L364-P530 WeakPolarHBondContact CA-O 3.31Å; G365-P530 PolarHBondContact N-O 2.81Å; K367-P530 WeakPolarHBondContact O-CD 3.37Å; F369-P530 HydrophobicContact CE2-CG 4.05Å; W376-P530 HydrophobicContact CH2-CG 4.09Å; W376-P530 HydrophobicContact CZ2-CB 3.88Å; W376-P530 HydrophobicContact CZ2-CG 3.75Å |
| 531 | F | 97.4 | Very high | 94.2 | Very high | 1 Ų | 1 | 46.8 Ų | 46.8 | 0% | 0.004 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 128.3 | -178.3 | 172.1 | -108.2 | 0 | 0 | 0 | 109 | F357 L364 M444 G446 A448 L460 V466 A468 V529 W533 | F357-F531 HydrophobicContact CE2-CE2 4.39Å; F357-F531 HydrophobicContact CZ-CD2 4.45Å; F357-F531 AromaticContact CZ-CE2 3.93Å; F357-F531 HydrophobicContact CZ-CE2 3.93Å; L364-F531 HydrophobicContact CD2-CB 4.4Å; L364-F531 HydrophobicContact CD2-CD2 3.75Å; M444-F531 HydrophobicContact CE-CE1 4.42Å; G446-F531 PolarHBondContact N-O 3.11Å; G446-F531 PolarHBondContact O-N 3.5Å; A448-F531 HydrophobicContact CB-CB 3.78Å; A448-F531 HydrophobicContact CB-CD2 4.26Å; A448-F531 HydrophobicContact CB-CG 4.03Å; L460-F531 HydrophobicContact CD2-CE1 4.39Å; L460-F531 HydrophobicContact CD2-CZ 3.88Å; V466-F531 HydrophobicContact CG1-CD1 3.77Å; V466-F531 HydrophobicContact CG1-CE1 3.76Å; A468-F531 HydrophobicContact CB-CD1 4.43Å; V529-F531 PolarHBondContact O-N 3.31Å; F531-W533 HydrophobicContact CE1-CB 4.04Å; F531-W533 HydrophobicContact CZ-CB 3.85Å; F531-W533 HydrophobicContact CZ-CG 4.49Å |
| 532 | L | 97.3 | Very high | 94.2 | Very high | 4 Ų | 4 | 42.8 Ų | 42.8 | 2% | 0.021 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 143.7 | 171.9 | -54.8 | -178.8 | 0 | 0 | 0 | 109 | L323 V341 G362 V363 V378 M444 V445 L541 L543 | L323-L532 HydrophobicContact CD1-CD1 4.29Å; L323-L532 HydrophobicContact CD2-CD1 3.78Å; L323-L532 HydrophobicContact CD2-CG 4.31Å; V341-L532 HydrophobicContact CG1-CD1 3.76Å; G362-L532 CarbonylContact C-O 3.59Å; G362-L532 WeakPolarHBondContact CA-O 3.42Å; V363-L532 HydrophobicContact CG1-CB 3.87Å; V363-L532 PolarHBondContact N-O 3.38Å; V363-L532 PolarHBondContact O-N 3.37Å; V378-L532 HydrophobicContact CG1-CD2 3.93Å; V378-L532 HydrophobicContact CG2-CD2 4Å; M444-L532 WeakPolarHBondContact O-CA 3.21Å; V445-L532 HydrophobicContact CB-CD2 4.27Å; V445-L532 HydrophobicContact CG1-CD2 3.99Å; L532-L541 HydrophobicContact CB-CD1 4.12Å; L532-L541 HydrophobicContact CD1-CB 4.27Å; L532-L541 HydrophobicContact CD1-CD1 4.38Å; L532-L541 HydrophobicContact CD2-CD1 4.31Å; L532-L543 HydrophobicContact CD1-CD2 4.49Å |
| 533 | W | 95.6 | Very high | 94.3 | Very high | 19 Ų | 19 | 40.7 Ų | 40.7 | 7% | 0.072 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 136.3 | 172.1 | -176.7 | 104.4 | 0 | 0 | 0 | 108.1 | E360 P361 S442 C443 M444 L460 F531 K535 | E360-W533 WeakPolarHBondContact OE2-CZ2 3.37Å; E360-W533 PolarHBondContact OE2-NE1 3.45Å; P361-W533 HydrophobicContact CG-CD2 4.17Å; P361-W533 HydrophobicContact CG-CZ2 3.89Å; P361-W533 WeakPolarHBondContact O-CA 3.4Å; S442-W533 VanDerWaalsContact O-CZ3 3.28Å; S442-W533 WeakPolarHBondContact O-CZ3 3.1Å; S442-W533 WeakPolarHBondContact OG-CZ3 3.28Å; C443-W533 CarbonylContact C-O 3.51Å; C443-W533 VanDerWaalsContact CA-O 3.22Å; C443-W533 WeakPolarHBondContact CA-O 3.36Å; C443-W533 WeakPolarHBondContact CB-O 3.36Å; M444-W533 HydrophobicContact CB-CB 4.02Å; M444-W533 HydrophobicContact CG-CB 4.39Å; M444-W533 HydrophobicContact CG-CE3 4.19Å; M444-W533 PolarHBondContact N-O 3.44Å; M444-W533 PolarHBondContact O-N 3.13Å; L460-W533 HydrophobicContact CD1-CG 4.27Å; F531-W533 HydrophobicContact CE1-CB 4.04Å; F531-W533 HydrophobicContact CZ-CB 3.85Å; F531-W533 HydrophobicContact CZ-CG 4.49Å; W533-K535 HydrophobicContact CE3-CB 4.29Å; W533-K535 HydrophobicContact CH2-CB 3.16Å; W533-K535 HydrophobicContact CH2-CD 3.79Å; W533-K535 HydrophobicContact CH2-CG 4.12Å; W533-K535 HydrophobicContact CZ2-CB 3.77Å; W533-K535 HydrophobicContact CZ2-CD 4.04Å; W533-K535 HydrophobicContact CZ3-CB 3.45Å; W533-K535 VanDerWaalsContact CZ3-CB 3.45Å |
| 534 | L | 95 | Very high | 94.1 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 107 | -173.2 | -177.6 | 64.3 | 0 | 0 | 0 | 111 | L332 Y343 P361 C443 W536 A539 L541 | L332-L534 HydrophobicContact CD2-CB 4.17Å; Y343-L534 WeakPolarHBondContact CB-O 3.36Å; Y343-L534 WeakPolarHBondContact CD2-O 3.49Å; P361-L534 WeakPolarHBondContact CB-O 3.34Å; P361-L534 WeakPolarHBondContact CG-O 3.49Å; P361-L534 PolarHBondContact O-N 3.41Å; C443-L534 HydrophobicContact CB-CD1 3.51Å; L534-W536 HydrophobicContact CD1-CB 3.84Å; L534-A539 HydrophobicContact CD1-CB 4.3Å; L534-L541 HydrophobicContact CB-CD1 4.3Å; L534-L541 HydrophobicContact CD1-CD1 4.39Å; L534-L541 HydrophobicContact CD1-CG 4.26Å; L534-L541 HydrophobicContact CD2-CG 4.48Å |
| 535 | K | 92.2 | Very high | 93.1 | Very high | 66 Ų | 66 | 42.9 Ų | 42.9 | 29% | 0.287 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 58 | 170.9 | -161.4 | -176.6 | -173.2 | -172.2 | 0 | 108.5 | Y343 P361 V439 E441 S442 W533 | Y343-K535 HydrophobicContact CE1-CG 4.37Å; Y343-K535 HydrophobicContact CE2-CG 4.36Å; P361-K535 HydrophobicContact CG-CB 3.79Å; P361-K535 HydrophobicContact CG-CG 4.23Å; V439-K535 HydrophobicContact CG1-CD 3.98Å; V439-K535 HydrophobicContact CG1-CG 4.39Å; E441-K535 WeakPolarHBondContact CA-O 3.36Å; S442-K535 PolarHBondContact N-O 3.46Å; S442-K535 CarbonylContact O-C 3.09Å; S442-K535 PolarHBondContact O-N 3.31Å; W533-K535 HydrophobicContact CE3-CB 4.29Å; W533-K535 HydrophobicContact CH2-CB 3.16Å; W533-K535 HydrophobicContact CH2-CD 3.79Å; W533-K535 HydrophobicContact CH2-CG 4.12Å; W533-K535 HydrophobicContact CZ2-CB 3.77Å; W533-K535 HydrophobicContact CZ2-CD 4.04Å; W533-K535 HydrophobicContact CZ3-CB 3.45Å; W533-K535 VanDerWaalsContact CZ3-CB 3.45Å |
| 536 | W | 90 | Very high | 93.1 | Very high | 5 Ų | 5 | 39.4 Ų | 39.4 | 2% | 0.019 | 19% | 0.193 | C | C | . | . | trans | -135.2 | 100.8 | -177.6 | -161.9 | -13.8 | 0 | 0 | 0 | 109.2 | L380 W385 E441 P473 L534 G538 A539 | L380-W536 HydrophobicContact CD2-CE3 4.45Å; L380-W536 HydrophobicContact CD2-CH2 4.42Å; L380-W536 HydrophobicContact CD2-CZ3 3.86Å; W385-W536 HydrophobicContact CZ2-CH2 4.34Å; W385-W536 HydrophobicContact CZ2-CZ2 4.48Å; E441-W536 HydrophobicContact CB-CD2 4.43Å; E441-W536 HydrophobicContact CB-CG 4.16Å; E441-W536 PolarHBondContact OE2-NE1 3.37Å; P473-W536 HydrophobicContact CG-CH2 4.09Å; P473-W536 HydrophobicContact CG-CZ2 3.63Å; L534-W536 HydrophobicContact CD1-CB 3.84Å; W536-G538 PolarHBondContact O-N 2.63Å; W536-A539 HydrophobicContact CB-CB 3.88Å; W536-A539 HydrophobicContact CD2-CB 4.22Å; W536-A539 HydrophobicContact CG-CB 3.81Å; W536-A539 PolarHBondContact O-N 3.14Å | ||
| 537 | P | 87.7 | Confident | 93.1 | Very high | 71 Ų | 71 | 34.1 Ų | 34.1 | 46% | 0.461 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | 137.1 | 179 | -25.2 | 35.2 | 0 | 0 | 0 | 112.2 | Y343 A539 | Y343-P537 HydrophobicContact CD1-CG 4.27Å; Y343-P537 HydrophobicContact CE1-CG 4.3Å; P537-A539 PolarHBondContact O-N 3.42Å |
| 538 | G | 86 | Confident | 92.9 | Very high | 48 Ų | 48 | 29.7 Ų | 29.7 | 50% | 0.495 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.4 | -2.6 | 180 | 0 | 0 | 0 | 0 | 0 | 115.4 | W536 | W536-G538 PolarHBondContact O-N 2.63Š|
| 539 | A | 90.9 | Very high | 92.6 | Very high | 3 Ų | 3 | 31.3 Ų | 31.3 | 3% | 0.025 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 155.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L380 E381 R382 L534 W536 P537 | L380-A539 HydrophobicContact CD1-CB 4.09Å; E381-A539 CarbonylContact O-C 3.58Å; E381-A539 WeakPolarHBondContact O-CA 3.37Å; R382-A539 HydrophobicContact CB-CB 4.16Å; R382-A539 HydrophobicContact CG-CB 4.49Å; L534-A539 HydrophobicContact CD1-CB 4.3Å; W536-A539 HydrophobicContact CB-CB 3.88Å; W536-A539 HydrophobicContact CD2-CB 4.22Å; W536-A539 HydrophobicContact CG-CB 3.81Å; W536-A539 PolarHBondContact O-N 3.14Å; P537-A539 PolarHBondContact O-N 3.42Å |
| 540 | R | 93.9 | Very high | 92.3 | Very high | 82 Ų | 82 | 32.8 Ų | 32.8 | 31% | 0.309 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 146 | 172.8 | 68.4 | 177.7 | 88.6 | 150.3 | -6.7 | 110.4 | V341 T342 E381 E383 L542 | V341-R540 CarbonylContact O-C 3.55Å; V341-R540 VanDerWaalsContact O-CA 3.23Å; V341-R540 WeakPolarHBondContact O-CA 3.38Å; V341-R540 WeakPolarHBondContact O-CB 3.44Å; T342-R540 HydrophobicContact CG2-CB 3.56Å; E381-R540 HydrophobicContact CB-CG 3.61Å; E381-R540 PolarHBondContact N-O 3.43Å; E381-R540 PolarHBondContact O-N 3.11Å; E381-R540 VanDerWaalsContact OE2-CD 3.31Å; E381-R540 WeakPolarHBondContact OE2-CD 3.47Å; E381-R540 IonicContact OE2-CZ 2.7Å; E381-R540 IonicContact OE2-NE 2.67Å; E381-R540 IonicContact OE2-NH1 2.71Å; E381-R540 PolarHBondContact OE2-NH1 3.17Å; E383-R540 IonicContact OE1-NH2 2.87Å; E383-R540 PolarHBondContact OE1-NH2 3.23Å; R540-L542 HydrophobicContact CG-CD1 3.75Å |
| 541 | L | 96.6 | Very high | 91.9 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 130.6 | 172.2 | -60.4 | 170.7 | 0 | 0 | 0 | 109.3 | C340 V341 V378 E379 L380 C443 V445 L532 L534 | C340-L541 CarbonylContact C-O 3.54Å; C340-L541 VanDerWaalsContact CA-O 3.29Å; C340-L541 WeakPolarHBondContact CA-O 3.47Å; V341-L541 HydrophobicContact CG1-CB 3.67Å; V341-L541 HydrophobicContact CG1-CD1 4.25Å; V341-L541 HydrophobicContact CG1-CG 4.37Å; V341-L541 PolarHBondContact N-O 3.48Å; V341-L541 PolarHBondContact O-N 3.08Å; V378-L541 HydrophobicContact CG1-CB 4.03Å; V378-L541 HydrophobicContact CG1-CD2 4.18Å; E379-L541 CarbonylContact O-C 3.5Å; E379-L541 VanDerWaalsContact O-CA 3.31Å; E379-L541 WeakPolarHBondContact O-CA 3.33Å; L380-L541 HydrophobicContact CB-CD2 4.15Å; L380-L541 HydrophobicContact CD1-CD2 3.7Å; C443-L541 HydrophobicContact CB-CD1 4.17Å; C443-L541 HydrophobicContact CB-CD2 4.32Å; V445-L541 HydrophobicContact CG1-CD1 4.27Å; V445-L541 HydrophobicContact CG1-CD2 4.26Å; L532-L541 HydrophobicContact CB-CD1 4.12Å; L532-L541 HydrophobicContact CD1-CB 4.27Å; L532-L541 HydrophobicContact CD1-CD1 4.38Å; L532-L541 HydrophobicContact CD2-CD1 4.31Å; L534-L541 HydrophobicContact CB-CD1 4.3Å; L534-L541 HydrophobicContact CD1-CD1 4.39Å; L534-L541 HydrophobicContact CD1-CG 4.26Å; L534-L541 HydrophobicContact CD2-CG 4.48Å |
| 542 | L | 96.4 | Very high | 91.5 | Very high | 28 Ų | 28 | 37.3 Ų | 37.3 | 15% | 0.147 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 127.9 | 179.6 | -56.9 | 90.5 | 0 | 0 | 0 | 110.8 | K339 C340 V378 E379 E381 R540 R544 | K339-L542 CarbonylContact O-C 3.56Å; K339-L542 WeakPolarHBondContact O-CA 3.23Å; C340-L542 HydrophobicContact CB-CG 4.43Å; V378-L542 CarbonylContact C-O 3.58Å; V378-L542 WeakPolarHBondContact CA-O 3.18Å; E379-L542 HydrophobicContact CB-CB 4.38Å; E379-L542 PolarHBondContact N-O 2.86Å; E379-L542 PolarHBondContact O-N 3.33Å; E381-L542 HydrophobicContact CB-CD1 3.83Å; E381-L542 HydrophobicContact CG-CD1 3.55Å; R540-L542 HydrophobicContact CG-CD1 3.75Å; L542-R544 PolarHBondContact O-N 3.19Å |
| 543 | L | 96.5 | Very high | 91.1 | Very high | 9 Ų | 9 | 39.8 Ų | 39.8 | 5% | 0.047 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 112.1 | 172.5 | -70.5 | 168.4 | 0 | 0 | 0 | 110.2 | V321 L323 K339 V378 L532 | V321-L543 HydrophobicContact CB-CD1 4.28Å; V321-L543 HydrophobicContact CB-CD2 4.25Å; V321-L543 HydrophobicContact CG1-CD1 3.84Å; V321-L543 HydrophobicContact CG1-CD2 4.1Å; V321-L543 WeakPolarHBondContact O-CD1 3.33Å; L323-L543 HydrophobicContact CD1-CD1 4.43Å; L323-L543 HydrophobicContact CD2-CD1 3.73Å; L323-L543 HydrophobicContact CG-CD1 3.69Å; K339-L543 HydrophobicContact CD-CB 3.98Å; K339-L543 PolarHBondContact O-N 3.43Å; V378-L543 HydrophobicContact CG2-CD2 4.05Å; L532-L543 HydrophobicContact CD1-CD2 4.49Å |
| 544 | R | 91.2 | Very high | 90.7 | Very high | 95 Ų | 95 | 41.6 Ų | 41.6 | 36% | 0.358 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 144 | 173.7 | -64.3 | -64.7 | -172.3 | 166 | -0.1 | 109.7 | E377 E379 E381 L542 | E377-R544 HydrophobicContact CB-CB 3.83Å; E377-R544 PolarHBondContact N-O 3.48Å; E377-R544 PolarHBondContact O-N 3.06Å; E379-R544 HydrophobicContact CB-CG 4.2Å; E379-R544 IonicContact OE2-CZ 3.48Å; E379-R544 IonicContact OE2-NE 3.56Å; E379-R544 PolarHBondContact OE2-NE 3.36Å; E379-R544 IonicContact OE2-NH2 3.32Å; E379-R544 PolarHBondContact OE2-NH2 2.88Å; E381-R544 IonicContact OE1-NH2 3.8Å; L542-R544 PolarHBondContact O-N 3.19Å |
| 545 | P | 72 | Confident | 90.3 | Very high | 90 Ų | 90 | 45.3 Ų | 45.3 | 58% | 0.584 | 25% | 0.249 | S | C | * | . | trans | -59.5 | 0 | -178.4 | 25 | -33.3 | 0 | 0 | 0 | 112.3 | T318 | T318-P545 WeakPolarHBondContact CG2-OXT 3.41Š|
Retrieved 545 of 545 residues in 1268 ms
(Link to these results)