| 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 | 38.9 | Very low | 55.2 | Low | 227 Ų | 227 | 111.5 Ų | 111.5 | 100% | 1.118 | 58% | 0.583 | S | S | * | * | 0 | 110.2 | 0 | -66.3 | -67.5 | 175.1 | 0 | 0 | 107.8 | G3 | M1-G3 VanDerWaalsContact C-N 3.27Å; M1-G3 PolarHBondContact O-N 3.14Å | |||
| 2 | P | 48.8 | Very low | 54.3 | Low | 134 Ų | 134 | 110.7 Ų | 110.7 | 87% | 0.87 | 59% | 0.589 | S | S | * | * | trans | -66.4 | 96.5 | 166.6 | 27.6 | -28.1 | 0 | 0 | 0 | 106.8 | V4 | P2-V4 PolarHBondContact O-N 3.32Š| ||
| 3 | G | 57.8 | Low | 54 | Low | 57 Ų | 57 | 113.1 Ų | 113.1 | 59% | 0.588 | 60% | 0.6 | S | S | * | * | trans | -57.7 | 132.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | M1 R5 | M1-G3 VanDerWaalsContact C-N 3.27Å; M1-G3 PolarHBondContact O-N 3.14Å; G3-R5 PolarHBondContact O-N 3.09Å | ||
| 4 | V | 62.9 | Low | 53.6 | Low | 145 Ų | 145 | 112.7 Ų | 112.7 | 88% | 0.879 | 61% | 0.609 | S | S | * | * | trans | -52 | 112.6 | 173 | 176.1 | 0 | 0 | 0 | 0 | 107.5 | P2 | P2-V4 PolarHBondContact O-N 3.32Š| ||
| 5 | R | 52.6 | Low | 53.4 | Low | 169 Ų | 169 | 110.9 Ų | 110.9 | 64% | 0.638 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 129.5 | -176.3 | -66.7 | -173.6 | -175.3 | -166.8 | 3 | 108.5 | G3 V7 H39 | G3-R5 PolarHBondContact O-N 3.09Å; R5-V7 PolarHBondContact O-N 3.24Å; R5-V7 VanDerWaalsContact O-N 3.15Å; R5-H39 VanDerWaalsContact CB-NE2 3.27Å; R5-H39 WeakPolarHBondContact CB-NE2 3.49Å; R5-H39 WeakPolarHBondContact CD-NE2 3.41Å; R5-H39 VanDerWaalsContact CG-NE2 3.27Å; R5-H39 WeakPolarHBondContact CG-NE2 3.36Å |
| 6 | P | 61.5 | Low | 53 | Low | 48 Ų | 48 | 109.4 Ų | 109.4 | 31% | 0.312 | 60% | 0.596 | S | S | . | * | P | Polyproline II helix | trans | -66.3 | 119.1 | 178.8 | 29.6 | -32.9 | 0 | 0 | 0 | 108.4 | P32 | P6-P32 HydrophobicContact CB-CB 3.65Å; P6-P32 HydrophobicContact CB-CG 3.8Å; P6-P32 HydrophobicContact CG-CB 4.31Å; P6-P32 HydrophobicContact CG-CG 4.29Å |
| 7 | V | 58.3 | Low | 52.8 | Low | 47 Ų | 47 | 115.9 Ų | 115.9 | 29% | 0.285 | 62% | 0.617 | S | S | . | * | P | Polyproline II helix | trans | -92.8 | 152.3 | 173.8 | -179 | 0 | 0 | 0 | 0 | 107.6 | R5 F9 F44 | R5-V7 PolarHBondContact O-N 3.24Å; R5-V7 VanDerWaalsContact O-N 3.15Å; V7-F9 HydrophobicContact CB-CE2 4.41Å; V7-F9 HydrophobicContact CB-CZ 4.46Å; V7-F9 WeakPolarHBondContact O-CD2 3.23Å; V7-F9 WeakPolarHBondContact O-CE2 3.3Å; V7-F9 PolarHBondContact O-N 2.91Å; V7-F44 HydrophobicContact CG1-CD2 4.08Å; V7-F44 HydrophobicContact CG1-CE2 4.46Å; V7-F44 HydrophobicContact CG2-CE2 4.19Å |
| 8 | I | 64 | Low | 53.1 | Low | 23 Ų | 23 | 114.1 Ų | 114.1 | 12% | 0.118 | 61% | 0.611 | C | S | . | * | trans | -61.4 | 105.2 | 169 | -67.7 | 154.4 | 0 | 0 | 0 | 107.6 | V29 Y31 V41 C43 | I8-V29 HydrophobicContact CG2-CG1 3.7Å; I8-Y31 HydrophobicContact CD1-CD1 3.81Å; I8-Y31 HydrophobicContact CD1-CE1 3.41Å; I8-Y31 VanDerWaalsContact CD1-CE1 3.41Å; I8-Y31 HydrophobicContact CG1-CD1 3.64Å; I8-Y31 HydrophobicContact CG1-CE1 3.74Å; I8-V41 HydrophobicContact CD1-CG1 4.22Å; I8-V41 HydrophobicContact CG1-CG1 3.7Å; I8-C43 HydrophobicContact CD1-CB 3.41Å; I8-C43 VanDerWaalsContact CD1-CB 3.41Å | ||
| 9 | F | 53.9 | Low | 53.4 | Low | 134 Ų | 134 | 115.8 Ų | 115.8 | 59% | 0.588 | 63% | 0.626 | S | S | * | * | trans | -87.5 | 116 | 176.3 | -72.2 | -78.8 | 0 | 0 | 0 | 108.1 | V7 R11 | V7-F9 HydrophobicContact CB-CE2 4.41Å; V7-F9 HydrophobicContact CB-CZ 4.46Å; V7-F9 WeakPolarHBondContact O-CD2 3.23Å; V7-F9 WeakPolarHBondContact O-CE2 3.3Å; V7-F9 PolarHBondContact O-N 2.91Å; F9-R11 PolarHBondContact O-N 3.46Å | ||
| 10 | I | 57 | Low | 53.8 | Low | 73 Ų | 73 | 113.3 Ų | 113.3 | 37% | 0.374 | 61% | 0.61 | S | S | . | * | trans | -62.9 | 121.7 | 146.4 | -52.4 | 172.6 | 0 | 0 | 0 | 103.2 | P47 | I10-P47 HydrophobicContact CD1-CB 4.08Å; I10-P47 HydrophobicContact CG1-CB 4.48Å | ||
| 11 | R | 51.8 | Low | 54.5 | Low | 170 Ų | 170 | 114.9 Ų | 114.9 | 64% | 0.642 | 61% | 0.609 | S | S | * | * | trans | -41.1 | 127.8 | 171.8 | -75.7 | -167.8 | -176 | -177.5 | 4.7 | 107.3 | F9 E30 | F9-R11 PolarHBondContact O-N 3.46Å; R11-E30 IonicContact CZ-OE1 3.37Å; R11-E30 IonicContact CZ-OE2 3.62Å; R11-E30 IonicContact NE-OE1 3.33Å; R11-E30 PolarHBondContact NE-OE1 3.4Å; R11-E30 IonicContact NE-OE2 2.86Å; R11-E30 PolarHBondContact NE-OE2 3.06Å; R11-E30 IonicContact NH2-OE1 2.73Å; R11-E30 PolarHBondContact NH2-OE1 3.04Å; R11-E30 IonicContact NH2-OE2 3.48Å; R11-E30 PolarHBondContact NH2-OE2 2.81Å | ||
| 12 | P | 44.2 | Very low | 55.9 | Low | 101 Ų | 101 | 108.9 Ų | 108.9 | 66% | 0.656 | 58% | 0.576 | S | S | * | * | trans | -51.1 | 155.3 | -168.4 | 19.8 | -32.2 | 0 | 0 | 0 | 109.5 | C14 | P12-C14 PolarHBondContact O-N 2.74Š| ||
| 13 | I | 50.9 | Low | 57.1 | Low | 142 Ų | 142 | 103.3 Ų | 103.3 | 73% | 0.728 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -63.4 | 37.3 | -179.9 | -51.3 | 155.4 | 0 | 0 | 0 | 111.3 | L15 | I13-L15 HydrophobicContact CG2-CG 4.39Å; I13-L15 PolarHBondContact O-N 3.15Å |
| 14 | C | 48.5 | Very low | 57.7 | Low | 108 Ų | 108 | 105 Ų | 105 | 73% | 0.73 | 54% | 0.535 | S | S | * | . | trans | -65 | 82.8 | 143.3 | -80.3 | 0 | 0 | 0 | 0 | 106.9 | P12 P16 | P12-C14 PolarHBondContact O-N 2.74Å; C14-P16 WeakPolarHBondContact O-CD 3.33Å | ||
| 15 | L | 49.4 | Very low | 58.1 | Low | 86 Ų | 86 | 104.6 Ų | 104.6 | 45% | 0.45 | 52% | 0.518 | S | S | . | . | trans | -51.3 | 112.7 | 152.6 | -72.9 | 166.9 | 0 | 0 | 0 | 104.8 | I13 K17 Y21 | I13-L15 HydrophobicContact CG2-CG 4.39Å; I13-L15 PolarHBondContact O-N 3.15Å; L15-K17 PolarHBondContact O-N 3.1Å; L15-Y21 HydrophobicContact CD2-CD2 4.05Å; L15-Y21 HydrophobicContact CD2-CE2 4.13Å | ||
| 16 | P | 47.1 | Very low | 59.3 | Low | 86 Ų | 86 | 100.2 Ų | 100.2 | 56% | 0.558 | 50% | 0.501 | S | S | * | . | trans | -54.5 | 145 | 170 | 25.1 | -31.1 | 0 | 0 | 0 | 106.4 | C14 T18 | C14-P16 WeakPolarHBondContact O-CD 3.33Å; P16-T18 HydrophobicContact CB-CG2 3.95Å; P16-T18 HydrophobicContact CG-CG2 4.07Å; P16-T18 PolarHBondContact O-N 3.04Å; P16-T18 PolarHBondContact O-OG1 3.16Å | ||
| 17 | K | 49.6 | Very low | 60.1 | Low | 221 Ų | 221 | 100.3 Ų | 100.3 | 96% | 0.961 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -68.7 | 43.3 | 171.2 | -66.4 | -179.2 | -179.7 | 177.4 | 0 | 110.4 | L15 | L15-K17 PolarHBondContact O-N 3.1Š|
| 18 | T | 58 | Low | 61.2 | Low | 83 Ų | 83 | 105.5 Ų | 105.5 | 51% | 0.509 | 52% | 0.517 | S | S | . | . | trans | -77.9 | 138.7 | 170 | 47.6 | 0 | 0 | 0 | 0 | 107.4 | P16 H20 | P16-T18 HydrophobicContact CB-CG2 3.95Å; P16-T18 HydrophobicContact CG-CG2 4.07Å; P16-T18 PolarHBondContact O-N 3.04Å; P16-T18 PolarHBondContact O-OG1 3.16Å; T18-H20 PolarHBondContact O-N 2.98Å; T18-H20 PolarHBondContact OG1-O 3.24Å | ||
| 19 | T | 58.7 | Low | 62 | Low | 146 Ų | 146 | 105.3 Ų | 105.3 | 90% | 0.896 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -54.4 | -23.2 | 171.6 | 44.9 | 0 | 0 | 0 | 0 | 112.3 | ||
| 20 | H | 61.4 | Low | 63.4 | Low | 66 Ų | 66 | 102.7 Ų | 102.7 | 31% | 0.306 | 51% | 0.506 | S | S | . | . | S | Bend | trans | -98 | 118.2 | 176.2 | -88.1 | -72.6 | 0 | 0 | 0 | 113.4 | T18 F22 | T18-H20 PolarHBondContact O-N 2.98Å; T18-H20 PolarHBondContact OG1-O 3.24Å; H20-F22 PolarHBondContact O-N 3.18Å |
| 21 | Y | 69.9 | Low | 64.7 | Low | 147 Ų | 147 | 104.7 Ų | 104.7 | 58% | 0.576 | 51% | 0.51 | S | S | * | . | trans | -71.2 | 116.5 | 164.7 | 174.3 | -99.8 | 0 | 0 | 0 | 110.1 | L15 P23 | L15-Y21 HydrophobicContact CD2-CD2 4.05Å; L15-Y21 HydrophobicContact CD2-CE2 4.13Å; Y21-P23 HydrophobicContact CE1-CB 3.89Å | ||
| 22 | F | 68.1 | Low | 66.3 | Low | 100 Ų | 100 | 98.2 Ų | 98.2 | 44% | 0.439 | 49% | 0.49 | S | S | . | . | trans | -92 | 113.9 | 169.4 | -120.5 | -96.3 | 0 | 0 | 0 | 109.3 | H20 R26 R27 | H20-F22 PolarHBondContact O-N 3.18Å; F22-R26 HydrophobicContact CD1-CB 3.75Å; F22-R26 HydrophobicContact CE1-CB 3.77Å; F22-R27 PolarHBondContact O-NE 2.94Å; F22-R27 VanDerWaalsContact O-NE 3.11Å; F22-R27 PolarHBondContact O-NH2 3.4Å | ||
| 23 | P | 72.7 | Confident | 68.3 | Low | 18 Ų | 18 | 101.5 Ų | 101.5 | 12% | 0.117 | 49% | 0.494 | C | S | . | . | trans | -64.4 | 150.1 | -178.1 | 27.4 | -34.2 | 0 | 0 | 0 | 111 | Y21 W25 R26 | Y21-P23 HydrophobicContact CE1-CB 3.89Å; P23-W25 HydrophobicContact CB-CD2 3.66Å; P23-W25 VanDerWaalsContact CB-CE2 3.4Å; P23-W25 HydrophobicContact CB-CE3 3.74Å; P23-W25 HydrophobicContact CB-CG 4.49Å; P23-W25 HydrophobicContact CB-CH2 3.37Å; P23-W25 HydrophobicContact CB-CZ2 3.27Å; P23-W25 HydrophobicContact CB-CZ3 3.59Å; P23-W25 HydrophobicContact CG-CD2 4.22Å; P23-W25 HydrophobicContact CG-CH2 4.27Å; P23-W25 HydrophobicContact CG-CZ2 3.69Å; P23-W25 PolarHBondContact O-N 3.33Å; P23-R26 HydrophobicContact CG-CB 4.05Å; P23-R26 HydrophobicContact CG-CG 3.89Å; P23-R26 PolarHBondContact O-N 2.89Å | ||
| 24 | L | 70.3 | Confident | 70 | Confident | 91 Ų | 91 | 98.5 Ų | 98.5 | 48% | 0.476 | 48% | 0.482 | S | S | . | . | G | 310 helix | trans | -52.5 | -42.2 | -175 | -76 | 164.6 | 0 | 0 | 0 | 112.6 | R26 R27 | L24-R26 PolarHBondContact O-N 3.41Å; L24-R27 WeakPolarHBondContact O-CB 3.45Å; L24-R27 PolarHBondContact O-N 3.38Å; L24-R27 VanDerWaalsContact O-N 3.1Å |
| 25 | W | 73.2 | Confident | 72.1 | Confident | 137 Ų | 137 | 99 Ų | 99 | 52% | 0.519 | 47% | 0.472 | S | S | . | . | G | 310 helix | trans | -73.5 | -0.7 | 180 | 65.5 | 84.9 | 0 | 0 | 0 | 115.1 | P23 H69 | P23-W25 HydrophobicContact CB-CD2 3.66Å; P23-W25 VanDerWaalsContact CB-CE2 3.4Å; P23-W25 HydrophobicContact CB-CE3 3.74Å; P23-W25 HydrophobicContact CB-CG 4.49Å; P23-W25 HydrophobicContact CB-CH2 3.37Å; P23-W25 HydrophobicContact CB-CZ2 3.27Å; P23-W25 HydrophobicContact CB-CZ3 3.59Å; P23-W25 HydrophobicContact CG-CD2 4.22Å; P23-W25 HydrophobicContact CG-CH2 4.27Å; P23-W25 HydrophobicContact CG-CZ2 3.69Å; P23-W25 PolarHBondContact O-N 3.33Å; W25-H69 PolarHBondContact O-NE2 2.69Å |
| 26 | R | 76.8 | Confident | 74.2 | Confident | 77 Ų | 77 | 101.4 Ų | 101.4 | 29% | 0.291 | 49% | 0.493 | S | S | . | . | G | 310 helix | trans | -107.9 | -2.7 | 169.4 | -72.2 | -168.4 | -176.1 | -168.3 | 1.8 | 112.6 | F22 P23 L24 | F22-R26 HydrophobicContact CD1-CB 3.75Å; F22-R26 HydrophobicContact CE1-CB 3.77Å; P23-R26 HydrophobicContact CG-CB 4.05Å; P23-R26 HydrophobicContact CG-CG 3.89Å; P23-R26 PolarHBondContact O-N 2.89Å; L24-R26 PolarHBondContact O-N 3.41Å |
| 27 | R | 78.2 | Confident | 76.4 | Confident | 50 Ų | 50 | 101.3 Ų | 101.3 | 19% | 0.189 | 51% | 0.508 | C | S | . | . | S | Bend | trans | -75.8 | 147 | 179.7 | -63.4 | -176.7 | -172.1 | 164 | 3.9 | 110 | F22 L24 V29 Q71 | F22-R27 PolarHBondContact O-NE 2.94Å; F22-R27 VanDerWaalsContact O-NE 3.11Å; F22-R27 PolarHBondContact O-NH2 3.4Å; L24-R27 WeakPolarHBondContact O-CB 3.45Å; L24-R27 PolarHBondContact O-N 3.38Å; L24-R27 VanDerWaalsContact O-N 3.1Å; R27-V29 PolarHBondContact O-N 3.4Å; R27-Q71 PolarHBondContact O-NE2 3.18Å; R27-Q71 PolarHBondContact O-OE1 3.32Å |
| 28 | Q | 81 | Confident | 78.3 | Confident | 156 Ų | 156 | 94.7 Ų | 94.7 | 73% | 0.729 | 48% | 0.483 | S | S | * | . | P | Polyproline II helix | trans | -72.9 | 125.2 | 171 | -168.8 | 171.8 | -19.9 | 0 | 0 | 109.5 | E30 | Q28-E30 PolarHBondContact O-N 3.02Š|
| 29 | V | 82.3 | Confident | 79.7 | Confident | 20 Ų | 20 | 93.8 Ų | 93.8 | 12% | 0.121 | 47% | 0.473 | C | S | . | . | P | Polyproline II helix | trans | -78.7 | 117 | 170.8 | 179.7 | 0 | 0 | 0 | 0 | 108.2 | I8 R27 Y31 P47 F48 Q71 | I8-V29 HydrophobicContact CG2-CG1 3.7Å; R27-V29 PolarHBondContact O-N 3.4Å; V29-Y31 HydrophobicContact CB-CE2 4.31Å; V29-Y31 HydrophobicContact CG1-CD2 4.19Å; V29-Y31 HydrophobicContact CG1-CE2 3.68Å; V29-P47 HydrophobicContact CG1-CG 4.37Å; V29-P47 HydrophobicContact CG2-CB 4.35Å; V29-P47 HydrophobicContact CG2-CG 3.48Å; V29-P47 VanDerWaalsContact CG2-CG 3.48Å; V29-F48 HydrophobicContact CG2-CE1 3.87Å; V29-F48 HydrophobicContact CG2-CZ 4.26Å; V29-Q71 VanDerWaalsContact CG2-OE1 3.31Å |
| 30 | E | 81.8 | Confident | 81 | Confident | 79 Ų | 79 | 92.4 Ų | 92.4 | 37% | 0.369 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -93.9 | 122.7 | 175.1 | -69.9 | -179.4 | 161.5 | 0 | 0 | 109.1 | R11 Q28 | R11-E30 IonicContact CZ-OE1 3.37Å; R11-E30 IonicContact CZ-OE2 3.62Å; R11-E30 IonicContact NE-OE1 3.33Å; R11-E30 PolarHBondContact NE-OE1 3.4Å; R11-E30 IonicContact NE-OE2 2.86Å; R11-E30 PolarHBondContact NE-OE2 3.06Å; R11-E30 IonicContact NH2-OE1 2.73Å; R11-E30 PolarHBondContact NH2-OE1 3.04Å; R11-E30 IonicContact NH2-OE2 3.48Å; R11-E30 PolarHBondContact NH2-OE2 2.81Å; Q28-E30 PolarHBondContact O-N 3.02Å |
| 31 | Y | 83.9 | Confident | 82.1 | Confident | 115 Ų | 115 | 91 Ų | 91 | 45% | 0.451 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -92.8 | 141.6 | 173 | -70.3 | -96.7 | 0 | 0 | 0 | 109.4 | I8 V29 F48 | I8-Y31 HydrophobicContact CD1-CD1 3.81Å; I8-Y31 HydrophobicContact CD1-CE1 3.41Å; I8-Y31 VanDerWaalsContact CD1-CE1 3.41Å; I8-Y31 HydrophobicContact CG1-CD1 3.64Å; I8-Y31 HydrophobicContact CG1-CE1 3.74Å; V29-Y31 HydrophobicContact CB-CE2 4.31Å; V29-Y31 HydrophobicContact CG1-CD2 4.19Å; V29-Y31 HydrophobicContact CG1-CE2 3.68Å; Y31-F48 WeakPolarHBondContact OH-CZ 3.28Å |
| 32 | P | 85.7 | Confident | 82.8 | Confident | 33 Ų | 33 | 85.8 Ų | 85.8 | 21% | 0.214 | 45% | 0.447 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 149.4 | 172.5 | 29.3 | -35.2 | 0 | 0 | 0 | 110.1 | P6 V34 V41 | P6-P32 HydrophobicContact CB-CB 3.65Å; P6-P32 HydrophobicContact CB-CG 3.8Å; P6-P32 HydrophobicContact CG-CB 4.31Å; P6-P32 HydrophobicContact CG-CG 4.29Å; P32-V34 PolarHBondContact O-N 3.2Å; P32-V41 HydrophobicContact CG-CB 4.38Å; P32-V41 HydrophobicContact CG-CG1 3.64Å; P32-V41 HydrophobicContact CG-CG2 3.76Å |
| 33 | K | 86.9 | Confident | 83.7 | Confident | 170 Ų | 170 | 83.8 Ų | 83.8 | 74% | 0.739 | 44% | 0.444 | S | S | * | . | P | Polyproline II helix | trans | -68.7 | 128.3 | 175.9 | -169.2 | 173.7 | -178.4 | 179.8 | 0 | 109.3 | F35 | K33-F35 HydrophobicContact CD-CZ 4.13Å; K33-F35 HydrophobicContact CG-CZ 4.45Å |
| 34 | V | 87.2 | Confident | 84.3 | Confident | 80 Ų | 80 | 89.9 Ų | 89.9 | 49% | 0.485 | 47% | 0.469 | S | S | . | . | trans | -110.1 | 132.6 | -179.1 | -171.8 | 0 | 0 | 0 | 0 | 109.1 | P32 D38 V41 | P32-V34 PolarHBondContact O-N 3.2Å; V34-D38 HydrophobicContact CG1-CB 3.82Å; V34-V41 HydrophobicContact CG2-CG2 3.42Å; V34-V41 VanDerWaalsContact CG2-CG2 3.42Å | ||
| 35 | F | 91.9 | Very high | 85.1 | Confident | 118 Ų | 118 | 92.8 Ų | 92.8 | 52% | 0.518 | 48% | 0.484 | S | S | . | . | trans | -102.9 | 156.6 | 172.4 | -62.3 | -81.3 | 0 | 0 | 0 | 111.2 | K33 G37 D38 | K33-F35 HydrophobicContact CD-CZ 4.13Å; K33-F35 HydrophobicContact CG-CZ 4.45Å; F35-G37 PolarHBondContact O-N 2.82Å; F35-D38 WeakPolarHBondContact CB-OD2 3.49Å; F35-D38 PolarHBondContact N-OD2 3.1Å; F35-D38 VanDerWaalsContact O-CB 3.3Å; F35-D38 WeakPolarHBondContact O-CB 3.27Å; F35-D38 PolarHBondContact O-N 3.4Å | ||
| 36 | P | 93.9 | Very high | 85.7 | Confident | 136 Ų | 136 | 88.5 Ų | 88.5 | 88% | 0.883 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | 127.6 | 173.7 | -23.8 | 34.2 | 0 | 0 | 0 | 111.5 | ||
| 37 | G | 93.6 | Very high | 86.1 | Confident | 85 Ų | 85 | 86.6 Ų | 86.6 | 88% | 0.876 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.4 | -15.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | F35 | F35-G37 PolarHBondContact O-N 2.82Š|
| 38 | D | 89.4 | Confident | 86.7 | Confident | 81 Ų | 81 | 84.9 Ų | 84.9 | 43% | 0.433 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 143.1 | 169.8 | -71.2 | -25.9 | 0 | 0 | 0 | 110.5 | V34 F35 | V34-D38 HydrophobicContact CG1-CB 3.82Å; F35-D38 WeakPolarHBondContact CB-OD2 3.49Å; F35-D38 PolarHBondContact N-OD2 3.1Å; F35-D38 VanDerWaalsContact O-CB 3.3Å; F35-D38 WeakPolarHBondContact O-CB 3.27Å; F35-D38 PolarHBondContact O-N 3.4Å |
| 39 | H | 87 | Confident | 87.2 | Confident | 64 Ų | 64 | 81.9 Ų | 81.9 | 30% | 0.296 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -56.8 | 148.2 | 168.7 | 64.8 | -55.6 | 0 | 0 | 0 | 112 | R5 V41 | R5-H39 VanDerWaalsContact CB-NE2 3.27Å; R5-H39 WeakPolarHBondContact CB-NE2 3.49Å; R5-H39 WeakPolarHBondContact CD-NE2 3.41Å; R5-H39 VanDerWaalsContact CG-NE2 3.27Å; R5-H39 WeakPolarHBondContact CG-NE2 3.36Å; H39-V41 PolarHBondContact O-N 3.02Å |
| 40 | P | 85 | Confident | 87.8 | Confident | 118 Ų | 118 | 82.7 Ų | 82.7 | 77% | 0.766 | 45% | 0.45 | S | S | * | . | P | Polyproline II helix | trans | -57.3 | 136.8 | 173.2 | -23.4 | 33.2 | 0 | 0 | 0 | 111.5 | P42 | P40-P42 VanDerWaalsContact O-CD 3.26Å; P40-P42 WeakPolarHBondContact O-CD 3.24Å |
| 41 | V | 84.8 | Confident | 88.4 | Confident | 35 Ų | 35 | 85.7 Ų | 85.7 | 21% | 0.212 | 46% | 0.462 | C | S | . | . | P | Polyproline II helix | trans | -69 | 116.1 | 179.3 | -177.8 | 0 | 0 | 0 | 0 | 109.5 | I8 P32 V34 H39 | I8-V41 HydrophobicContact CD1-CG1 4.22Å; I8-V41 HydrophobicContact CG1-CG1 3.7Å; P32-V41 HydrophobicContact CG-CB 4.38Å; P32-V41 HydrophobicContact CG-CG1 3.64Å; P32-V41 HydrophobicContact CG-CG2 3.76Å; V34-V41 HydrophobicContact CG2-CG2 3.42Å; V34-V41 VanDerWaalsContact CG2-CG2 3.42Å; H39-V41 PolarHBondContact O-N 3.02Å |
| 42 | P | 86.1 | Confident | 89 | Confident | 39 Ų | 39 | 83.9 Ų | 83.9 | 25% | 0.253 | 46% | 0.459 | S | S | . | . | P | Polyproline II helix | trans | -75.6 | 136 | 177.5 | 30.2 | -32 | 0 | 0 | 0 | 111.1 | P40 F44 | P40-P42 VanDerWaalsContact O-CD 3.26Å; P40-P42 WeakPolarHBondContact O-CD 3.24Å; P42-F44 HydrophobicContact CB-CE1 4.49Å; P42-F44 HydrophobicContact CB-CE2 4.02Å; P42-F44 HydrophobicContact CB-CZ 3.96Å; P42-F44 HydrophobicContact CG-CE2 3.92Å; P42-F44 HydrophobicContact CG-CZ 4.08Å |
| 43 | C | 85.6 | Confident | 89.4 | Confident | 57 Ų | 57 | 84.7 Ų | 84.7 | 39% | 0.385 | 46% | 0.461 | S | S | . | . | trans | -106.4 | 107.7 | 166.2 | -164.1 | 0 | 0 | 0 | 0 | 108.5 | I8 | I8-C43 HydrophobicContact CD1-CB 3.41Å; I8-C43 VanDerWaalsContact CD1-CB 3.41Å | ||
| 44 | F | 85.2 | Confident | 89.7 | Confident | 146 Ų | 146 | 83.8 Ų | 83.8 | 64% | 0.64 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -83.8 | -45.1 | 178.3 | -63.3 | -74.1 | 0 | 0 | 0 | 111.9 | V7 P42 | V7-F44 HydrophobicContact CG1-CD2 4.08Å; V7-F44 HydrophobicContact CG1-CE2 4.46Å; V7-F44 HydrophobicContact CG2-CE2 4.19Å; P42-F44 HydrophobicContact CB-CE1 4.49Å; P42-F44 HydrophobicContact CB-CE2 4.02Å; P42-F44 HydrophobicContact CB-CZ 3.96Å; P42-F44 HydrophobicContact CG-CE2 3.92Å; P42-F44 HydrophobicContact CG-CZ 4.08Å |
| 45 | L | 86.7 | Confident | 89.9 | Confident | 152 Ų | 152 | 81.5 Ų | 81.5 | 80% | 0.796 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -121.1 | 95.8 | 178 | -77 | 85.3 | 0 | 0 | 0 | 108.9 | ||
| 46 | P | 87.1 | Confident | 89.9 | Confident | 48 Ų | 48 | 77 Ų | 77 | 31% | 0.312 | 43% | 0.428 | S | S | . | . | trans | -65.5 | 127.3 | 178.5 | 24.4 | -31 | 0 | 0 | 0 | 110.3 | F48 Y80 I84 | P46-F48 HydrophobicContact CB-CD2 4.38Å; P46-F48 PolarHBondContact O-N 3.04Å; P46-F48 VanDerWaalsContact O-N 3.11Å; P46-Y80 HydrophobicContact CB-CD2 4.44Å; P46-Y80 HydrophobicContact CB-CE2 4.2Å; P46-Y80 HydrophobicContact CG-CD2 4.22Å; P46-Y80 HydrophobicContact CG-CE2 3.82Å; P46-I84 HydrophobicContact CG-CD1 4.06Å | ||
| 47 | P | 84.9 | Confident | 89.6 | Confident | 36 Ų | 36 | 76.2 Ų | 76.2 | 23% | 0.234 | 42% | 0.422 | C | S | . | . | trans | -76.7 | 9.2 | 178.5 | 32.5 | -36.4 | 0 | 0 | 0 | 113.2 | I10 V29 | I10-P47 HydrophobicContact CD1-CB 4.08Å; I10-P47 HydrophobicContact CG1-CB 4.48Å; V29-P47 HydrophobicContact CG1-CG 4.37Å; V29-P47 HydrophobicContact CG2-CB 4.35Å; V29-P47 HydrophobicContact CG2-CG 3.48Å; V29-P47 VanDerWaalsContact CG2-CG 3.48Å | ||
| 48 | F | 89.9 | Confident | 89.4 | Confident | 15 Ų | 15 | 82 Ų | 82 | 7% | 0.066 | 42% | 0.423 | C | S | . | . | trans | -94.8 | 142.2 | -173.2 | -54 | -50.2 | 0 | 0 | 0 | 111.6 | V29 Y31 P46 H69 Q71 M72 Y80 | V29-F48 HydrophobicContact CG2-CE1 3.87Å; V29-F48 HydrophobicContact CG2-CZ 4.26Å; Y31-F48 WeakPolarHBondContact OH-CZ 3.28Å; P46-F48 HydrophobicContact CB-CD2 4.38Å; P46-F48 PolarHBondContact O-N 3.04Å; P46-F48 VanDerWaalsContact O-N 3.11Å; F48-H69 HydrophobicContact CB-CB 4.07Å; F48-H69 HydrophobicContact CD1-CB 3.97Å; F48-H69 AromaticContact CD1-CG 3.73Å; F48-H69 AromaticContact CD1-ND1 3.67Å; F48-H69 AromaticContact CE1-ND1 4Å; F48-H69 HydrophobicContact CG-CB 4.39Å; F48-Q71 HydrophobicContact CE1-CB 4.03Å; F48-M72 HydrophobicContact CB-CG 3.66Å; F48-M72 HydrophobicContact CB-SD 3.58Å; F48-M72 VanDerWaalsContact CB-SD 3.58Å; F48-M72 HydrophobicContact CD1-CG 3.87Å; F48-M72 HydrophobicContact CD2-CG 3.53Å; F48-M72 HydrophobicContact CD2-SD 4.29Å; F48-M72 HydrophobicContact CE1-CG 4.39Å; F48-M72 HydrophobicContact CE2-CG 4.09Å; F48-M72 HydrophobicContact CG-CG 3.4Å; F48-M72 HydrophobicContact CG-SD 4.03Å; F48-M72 HydrophobicContact CZ-CG 4.49Å; F48-Y80 PolarHBondContact O-OH 2.62Å | ||
| 49 | W | 92 | Very high | 89.4 | Confident | 92 Ų | 92 | 80.5 Ų | 80.5 | 35% | 0.348 | 42% | 0.415 | S | S | . | . | trans | -107.7 | 152.5 | 169.4 | 57.5 | -96.9 | 0 | 0 | 0 | 110.1 | K67 H69 | W49-K67 HydrophobicContact CH2-CD 4.24Å; W49-K67 HydrophobicContact CH2-CG 4.05Å; W49-K67 HydrophobicContact CZ3-CB 4.48Å; W49-K67 HydrophobicContact CZ3-CD 4.16Å; W49-K67 HydrophobicContact CZ3-CG 3.86Å; W49-H69 AromaticContact CD1-CD2 3.6Å; W49-H69 AromaticContact NE1-CD2 3.33Å; W49-H69 PolarHBondContact NE1-CD2 3.3Å; W49-H69 VanDerWaalsContact NE1-CD2 3.33Å; W49-H69 PolarHBondContact O-N 3.24Å; W49-H69 VanDerWaalsContact O-N 3.09Å | ||
| 50 | M | 94.6 | Very high | 89.7 | Confident | 37 Ų | 37 | 80.5 Ų | 80.5 | 18% | 0.182 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 139.5 | 173.8 | -177.4 | 167.2 | 76.4 | 0 | 0 | 109 | F66 K67 V68 V77 Y80 L81 | M50-F66 HydrophobicContact CE-CD1 3.78Å; M50-F66 HydrophobicContact CE-CE1 3.85Å; M50-F66 HydrophobicContact CE-CG 4.12Å; M50-F66 HydrophobicContact CE-CZ 4.23Å; M50-F66 HydrophobicContact CG-CB 3.7Å; M50-F66 HydrophobicContact CG-CD1 3.72Å; M50-F66 HydrophobicContact CG-CG 3.92Å; M50-F66 HydrophobicContact SD-CB 3.73Å; M50-F66 HydrophobicContact SD-CD1 3.79Å; M50-F66 HydrophobicContact SD-CD2 4.18Å; M50-F66 HydrophobicContact SD-CE1 4.44Å; M50-F66 HydrophobicContact SD-CG 3.64Å; M50-K67 CarbonylContact C-O 3.54Å; M50-K67 WeakPolarHBondContact CA-O 3.49Å; M50-V68 HydrophobicContact CB-CG1 4.38Å; M50-V68 HydrophobicContact CG-CG1 3.7Å; M50-V68 HydrophobicContact SD-CG1 3.65Å; M50-V77 HydrophobicContact SD-CG1 4.27Å; M50-Y80 HydrophobicContact CB-CE1 4.43Å; M50-Y80 HydrophobicContact CE-CD1 4.01Å; M50-Y80 HydrophobicContact CE-CE1 4.3Å; M50-L81 HydrophobicContact CE-CD1 4.41Å; M50-L81 HydrophobicContact CE-CD2 3.4Å; M50-L81 HydrophobicContact CE-CG 3.85Å |
| 51 | K | 95.1 | Very high | 90.1 | Very high | 142 Ų | 142 | 78.3 Ų | 78.3 | 62% | 0.617 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 131.9 | 178.2 | -178.2 | 178.5 | 177.7 | -179.5 | 0 | 109.4 | F66 K67 | K51-F66 CarbonylContact O-C 3.56Å; K51-F66 VanDerWaalsContact O-CA 3.29Å; K51-F66 WeakPolarHBondContact O-CA 3.43Å; K51-K67 HydrophobicContact CB-CB 4.44Å; K51-K67 PolarHBondContact N-O 2.99Å; K51-K67 PolarHBondContact O-N 2.75Å |
| 52 | M | 95.6 | Very high | 90.5 | Very high | 77 Ų | 77 | 78.4 Ų | 78.4 | 38% | 0.379 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 135.9 | 173 | -168.5 | -180 | -78.7 | 0 | 0 | 110.2 | V64 F66 F142 F144 | M52-V64 HydrophobicContact CE-CG1 4.19Å; M52-V64 HydrophobicContact CG-CG1 4.28Å; M52-F66 HydrophobicContact CB-CD1 4.03Å; M52-F66 HydrophobicContact CB-CE1 3.9Å; M52-F66 HydrophobicContact CE-CE1 3.84Å; M52-F66 HydrophobicContact CE-CZ 4.03Å; M52-F66 HydrophobicContact CG-CD1 4.38Å; M52-F66 HydrophobicContact CG-CE1 4.04Å; M52-F142 HydrophobicContact CE-CE2 4.07Å; M52-F142 HydrophobicContact CE-CZ 3.91Å; M52-F142 HydrophobicContact SD-CE1 4.23Å; M52-F142 HydrophobicContact SD-CE2 4.1Å; M52-F142 HydrophobicContact SD-CZ 3.41Å; M52-F142 WeakPolarHBondContact SD-CZ 3.21Å; M52-F144 HydrophobicContact CG-CD2 4.4Å; M52-F144 HydrophobicContact CG-CE2 4.08Å; M52-F144 HydrophobicContact SD-CD2 4.21Å; M52-F144 HydrophobicContact SD-CE2 4.13Å |
| 53 | M | 95 | Very high | 90.9 | Very high | 51 Ų | 51 | 78.8 Ų | 78.8 | 25% | 0.251 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 156.2 | 176.4 | -65.3 | -160.7 | -61.3 | 0 | 0 | 110.7 | P55 V65 K67 V131 | M53-P55 WeakPolarHBondContact O-CD 3.41Å; M53-V65 HydrophobicContact CB-CB 4.5Å; M53-V65 HydrophobicContact CB-CG1 4.32Å; M53-V65 HydrophobicContact CE-CG1 3.59Å; M53-V65 PolarHBondContact N-O 2.84Å; M53-K67 HydrophobicContact CE-CB 4.29Å; M53-K67 HydrophobicContact CG-CB 4.01Å; M53-K67 HydrophobicContact SD-CB 3.79Å; M53-V131 HydrophobicContact CE-CB 4.26Å; M53-V131 HydrophobicContact CE-CG1 3.6Å; M53-V131 HydrophobicContact CE-CG2 3.78Å |
| 54 | Y | 94.2 | Very high | 91.4 | Very high | 150 Ų | 150 | 76.3 Ų | 76.3 | 59% | 0.588 | 39% | 0.388 | S | S | * | . | trans | -64.9 | 123.6 | 170.2 | 179.9 | -111.2 | 0 | 0 | 0 | 109.5 | G56 F144 | Y54-G56 VanDerWaalsContact CE1-CA 3.46Å; Y54-G56 PolarHBondContact O-N 2.91Å; Y54-F144 HydrophobicContact CD2-CB 4.03Å; Y54-F144 AromaticContact CD2-CD1 3.75Å; Y54-F144 HydrophobicContact CD2-CD1 3.75Å; Y54-F144 HydrophobicContact CD2-CE1 4.39Å; Y54-F144 AromaticContact CD2-CG 3.89Å; Y54-F144 HydrophobicContact CD2-CG 3.89Å; Y54-F144 HydrophobicContact CE2-CB 4.4Å | ||
| 55 | P | 91.3 | Very high | 92 | Very high | 33 Ų | 33 | 69.8 Ų | 69.8 | 21% | 0.214 | 36% | 0.359 | C | S | . | . | trans | -73.3 | -9.5 | -173.2 | 25.8 | -33.2 | 0 | 0 | 0 | 114.9 | M53 N59 V65 F144 | M53-P55 WeakPolarHBondContact O-CD 3.41Å; P55-N59 HydrophobicContact CB-CB 3.91Å; P55-N59 VanDerWaalsContact CB-ND2 3.32Å; P55-N59 WeakPolarHBondContact CB-ND2 3.32Å; P55-N59 WeakPolarHBondContact O-CB 3.35Å; P55-V65 HydrophobicContact CB-CG2 3.9Å; P55-F144 HydrophobicContact CG-CB 4.46Å | ||
| 56 | G | 90.3 | Very high | 92.5 | Very high | 24 Ų | 24 | 63.3 Ų | 63.3 | 25% | 0.247 | 33% | 0.325 | C | S | . | . | trans | 84.6 | 161.6 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y54 K58 | Y54-G56 VanDerWaalsContact CE1-CA 3.46Å; Y54-G56 PolarHBondContact O-N 2.91Å; G56-K58 PolarHBondContact O-N 2.84Å | ||
| 57 | P | 88.3 | Confident | 92.9 | Very high | 118 Ų | 118 | 63.5 Ų | 63.5 | 77% | 0.766 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -22.7 | -170.8 | 27.7 | -35.3 | 0 | 0 | 0 | 114.4 | ||
| 58 | K | 89.3 | Confident | 93.5 | Very high | 208 Ų | 208 | 61.8 Ų | 61.8 | 90% | 0.904 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | 10.3 | -175.3 | -63.5 | -176 | -179.7 | -179.1 | 0 | 113.4 | G56 | G56-K58 PolarHBondContact O-N 2.84Š|
| 59 | N | 90 | Very high | 93.7 | Very high | 49 Ų | 49 | 61.2 Ų | 61.2 | 26% | 0.262 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -82 | 143.2 | -177.2 | -146.3 | 28.7 | 0 | 0 | 0 | 110.6 | P55 H63 | P55-N59 HydrophobicContact CB-CB 3.91Å; P55-N59 VanDerWaalsContact CB-ND2 3.32Å; P55-N59 WeakPolarHBondContact CB-ND2 3.32Å; P55-N59 WeakPolarHBondContact O-CB 3.35Å; N59-H63 WeakPolarHBondContact ND2-CB 3.26Å; N59-H63 PolarHBondContact ND2-O 2.8Å |
| 60 | P | 92.9 | Very high | 93.7 | Very high | 64 Ų | 64 | 58.1 Ų | 58.1 | 42% | 0.416 | 30% | 0.299 | S | S | . | . | trans | -63.5 | 150.7 | 175.9 | -16.9 | 29.1 | 0 | 0 | 0 | 111.4 | N62 H63 | P60-N62 PolarHBondContact O-N 3.39Å; P60-H63 PolarHBondContact O-N 2.75Å | ||
| 61 | P | 92.3 | Very high | 93.6 | Very high | 72 Ų | 72 | 59.6 Ų | 59.6 | 47% | 0.468 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -24.1 | -175 | 19.8 | -30.8 | 0 | 0 | 0 | 114.2 | H63 V141 F142 | P61-H63 VanDerWaalsContact C-N 3.33Å; P61-V141 HydrophobicContact CB-CB 4.47Å; P61-V141 HydrophobicContact CB-CG1 3.77Å; P61-V141 HydrophobicContact CB-CG2 4.28Å; P61-F142 PolarHBondContact O-N 3.16Å |
| 62 | N | 93.9 | Very high | 93.5 | Very high | 37 Ų | 37 | 52.9 Ų | 52.9 | 20% | 0.198 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 9.8 | -176.7 | -52.2 | 16.9 | 0 | 0 | 0 | 112.2 | P60 L136 E140 | P60-N62 PolarHBondContact O-N 3.39Å; N62-L136 PolarHBondContact O-N 3.49Å; N62-E140 VanDerWaalsContact CG-O 3.25Å; N62-E140 PolarHBondContact OD1-O 2.96Å |
| 63 | H | 95.2 | Very high | 93.5 | Very high | 47 Ų | 47 | 52.5 Ų | 52.5 | 22% | 0.218 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 125.2 | -177.6 | -72.3 | 62.4 | 0 | 0 | 0 | 111.2 | N59 P60 P61 V134 | N59-H63 WeakPolarHBondContact ND2-CB 3.26Å; N59-H63 PolarHBondContact ND2-O 2.8Å; P60-H63 PolarHBondContact O-N 2.75Å; P61-H63 VanDerWaalsContact C-N 3.33Å; H63-V134 WeakPolarHBondContact CA-O 3.31Å |
| 64 | V | 96 | Very high | 93.6 | Very high | 5 Ų | 5 | 54.2 Ų | 54.2 | 3% | 0.03 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 140.4 | 175.6 | -168.5 | 0 | 0 | 0 | 0 | 108.9 | M52 F66 V134 L136 F142 | M52-V64 HydrophobicContact CE-CG1 4.19Å; M52-V64 HydrophobicContact CG-CG1 4.28Å; V64-F66 HydrophobicContact CB-CE2 3.8Å; V64-F66 HydrophobicContact CB-CZ 4.27Å; V64-F66 HydrophobicContact CG1-CD2 4.12Å; V64-F66 HydrophobicContact CG1-CE1 4.2Å; V64-F66 HydrophobicContact CG1-CE2 3.41Å; V64-F66 VanDerWaalsContact CG1-CE2 3.41Å; V64-F66 HydrophobicContact CG1-CZ 3.46Å; V64-F66 VanDerWaalsContact CG1-CZ 3.46Å; V64-V134 PolarHBondContact N-O 2.93Å; V64-V134 PolarHBondContact O-N 3.38Å; V64-L136 HydrophobicContact CG2-CD1 3.79Å; V64-L136 HydrophobicContact CG2-CD2 4.35Å; V64-L136 HydrophobicContact CG2-CG 4.06Å; V64-F142 HydrophobicContact CB-CD1 4.39Å; V64-F142 HydrophobicContact CG1-CD1 4.22Å; V64-F142 HydrophobicContact CG1-CE1 4.05Å; V64-F142 HydrophobicContact CG1-CZ 4.47Å; V64-F142 HydrophobicContact CG2-CB 3.89Å; V64-F142 HydrophobicContact CG2-CD1 3.64Å; V64-F142 HydrophobicContact CG2-CD2 4.35Å; V64-F142 HydrophobicContact CG2-CE1 4.3Å; V64-F142 HydrophobicContact CG2-CG 3.67Å |
| 65 | V | 96.7 | Very high | 93.7 | Very high | 8 Ų | 8 | 54.9 Ų | 54.9 | 5% | 0.048 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 131.8 | 179.6 | -173.3 | 0 | 0 | 0 | 0 | 109.2 | M53 P55 V131 A132 Y133 | M53-V65 HydrophobicContact CB-CB 4.5Å; M53-V65 HydrophobicContact CB-CG1 4.32Å; M53-V65 HydrophobicContact CE-CG1 3.59Å; M53-V65 PolarHBondContact N-O 2.84Å; P55-V65 HydrophobicContact CB-CG2 3.9Å; V65-V131 HydrophobicContact CG1-CG1 3.53Å; V65-A132 WeakPolarHBondContact CA-O 3.36Å; V65-Y133 HydrophobicContact CG1-CD1 4.44Å; V65-Y133 HydrophobicContact CG1-CE1 4.26Å; V65-Y133 HydrophobicContact CG2-CD1 3.75Å; V65-Y133 HydrophobicContact CG2-CE1 3.91Å |
| 66 | F | 97.8 | Very high | 93.9 | Very high | 16 Ų | 16 | 55.1 Ų | 55.1 | 7% | 0.07 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 143 | 177.4 | -64 | -83.5 | 0 | 0 | 0 | 111.1 | M50 K51 M52 V64 V68 L81 V131 A132 V134 | M50-F66 HydrophobicContact CE-CD1 3.78Å; M50-F66 HydrophobicContact CE-CE1 3.85Å; M50-F66 HydrophobicContact CE-CG 4.12Å; M50-F66 HydrophobicContact CE-CZ 4.23Å; M50-F66 HydrophobicContact CG-CB 3.7Å; M50-F66 HydrophobicContact CG-CD1 3.72Å; M50-F66 HydrophobicContact CG-CG 3.92Å; M50-F66 HydrophobicContact SD-CB 3.73Å; M50-F66 HydrophobicContact SD-CD1 3.79Å; M50-F66 HydrophobicContact SD-CD2 4.18Å; M50-F66 HydrophobicContact SD-CE1 4.44Å; M50-F66 HydrophobicContact SD-CG 3.64Å; K51-F66 CarbonylContact O-C 3.56Å; K51-F66 VanDerWaalsContact O-CA 3.29Å; K51-F66 WeakPolarHBondContact O-CA 3.43Å; M52-F66 HydrophobicContact CB-CD1 4.03Å; M52-F66 HydrophobicContact CB-CE1 3.9Å; M52-F66 HydrophobicContact CE-CE1 3.84Å; M52-F66 HydrophobicContact CE-CZ 4.03Å; M52-F66 HydrophobicContact CG-CD1 4.38Å; M52-F66 HydrophobicContact CG-CE1 4.04Å; V64-F66 HydrophobicContact CB-CE2 3.8Å; V64-F66 HydrophobicContact CB-CZ 4.27Å; V64-F66 HydrophobicContact CG1-CD2 4.12Å; V64-F66 HydrophobicContact CG1-CE1 4.2Å; V64-F66 HydrophobicContact CG1-CE2 3.41Å; V64-F66 VanDerWaalsContact CG1-CE2 3.41Å; V64-F66 HydrophobicContact CG1-CZ 3.46Å; V64-F66 VanDerWaalsContact CG1-CZ 3.46Å; F66-V68 HydrophobicContact CB-CG1 4.09Å; F66-L81 HydrophobicContact CE2-CD1 4.02Å; F66-L81 HydrophobicContact CE2-CD2 4.37Å; F66-L81 HydrophobicContact CZ-CD2 4.07Å; F66-V131 CarbonylContact O-C 3.6Å; F66-V131 WeakPolarHBondContact O-CA 3.48Å; F66-A132 HydrophobicContact CB-CB 4.44Å; F66-A132 PolarHBondContact N-O 3.49Å; F66-A132 PolarHBondContact O-N 3.09Å; F66-V134 HydrophobicContact CD2-CB 4.28Å; F66-V134 HydrophobicContact CD2-CG2 3.61Å; F66-V134 HydrophobicContact CE2-CB 4.12Å; F66-V134 HydrophobicContact CE2-CG2 3.82Å |
| 67 | K | 96.6 | Very high | 94.2 | Very high | 52 Ų | 52 | 54 Ų | 54 | 23% | 0.226 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 123 | 158.7 | -173.2 | 178.8 | 176.6 | 159.4 | 0 | 107.5 | W49 M50 K51 M53 E129 K130 | W49-K67 HydrophobicContact CH2-CD 4.24Å; W49-K67 HydrophobicContact CH2-CG 4.05Å; W49-K67 HydrophobicContact CZ3-CB 4.48Å; W49-K67 HydrophobicContact CZ3-CD 4.16Å; W49-K67 HydrophobicContact CZ3-CG 3.86Å; M50-K67 CarbonylContact C-O 3.54Å; M50-K67 WeakPolarHBondContact CA-O 3.49Å; K51-K67 HydrophobicContact CB-CB 4.44Å; K51-K67 PolarHBondContact N-O 2.99Å; K51-K67 PolarHBondContact O-N 2.75Å; M53-K67 HydrophobicContact CE-CB 4.29Å; M53-K67 HydrophobicContact CG-CB 4.01Å; M53-K67 HydrophobicContact SD-CB 3.79Å; K67-E129 VanDerWaalsContact CD-OE2 3.28Å; K67-E129 WeakPolarHBondContact CD-OE2 3.43Å; K67-E129 WeakPolarHBondContact CE-OE2 3.29Å; K67-E129 IonicContact NZ-OE1 2.72Å; K67-E129 PolarHBondContact NZ-OE1 3.1Å; K67-E129 IonicContact NZ-OE2 3.67Å; K67-E129 PolarHBondContact NZ-OE2 2.81Å; K67-K130 WeakPolarHBondContact CA-O 3.38Å |
| 68 | V | 96.4 | Very high | 94.6 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.006 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 158.1 | -175.1 | -65.4 | 0 | 0 | 0 | 0 | 110.9 | M50 F66 M72 V77 V94 K130 A132 | M50-V68 HydrophobicContact CB-CG1 4.38Å; M50-V68 HydrophobicContact CG-CG1 3.7Å; M50-V68 HydrophobicContact SD-CG1 3.65Å; F66-V68 HydrophobicContact CB-CG1 4.09Å; V68-M72 HydrophobicContact CB-SD 4.25Å; V68-V77 HydrophobicContact CB-CG2 4.47Å; V68-V77 HydrophobicContact CG1-CG2 3.95Å; V68-V94 HydrophobicContact CG2-CG1 4.33Å; V68-K130 HydrophobicContact CG2-CB 3.79Å; V68-K130 HydrophobicContact CG2-CD 4.06Å; V68-K130 HydrophobicContact CG2-CG 3.63Å; V68-K130 WeakPolarHBondContact CG2-O 3.47Å; V68-K130 PolarHBondContact N-O 3.45Å; V68-A132 HydrophobicContact CG1-CB 3.83Å; V68-A132 HydrophobicContact CG2-CB 4.22Å |
| 69 | H | 94.2 | Very high | 94.9 | Very high | 3 Ų | 3 | 44 Ų | 44 | 1% | 0.014 | 22% | 0.22 | C | C | . | . | trans | -55.3 | 136.6 | 170.8 | -167.7 | -81.9 | 0 | 0 | 0 | 110.9 | W25 F48 W49 Q71 M72 | W25-H69 PolarHBondContact O-NE2 2.69Å; F48-H69 HydrophobicContact CB-CB 4.07Å; F48-H69 HydrophobicContact CD1-CB 3.97Å; F48-H69 AromaticContact CD1-CG 3.73Å; F48-H69 AromaticContact CD1-ND1 3.67Å; F48-H69 AromaticContact CE1-ND1 4Å; F48-H69 HydrophobicContact CG-CB 4.39Å; W49-H69 AromaticContact CD1-CD2 3.6Å; W49-H69 AromaticContact NE1-CD2 3.33Å; W49-H69 PolarHBondContact NE1-CD2 3.3Å; W49-H69 VanDerWaalsContact NE1-CD2 3.33Å; W49-H69 PolarHBondContact O-N 3.24Å; W49-H69 VanDerWaalsContact O-N 3.09Å; H69-Q71 PolarHBondContact ND1-N 3.21Å; H69-Q71 PolarHBondContact O-N 3.14Å; H69-Q71 VanDerWaalsContact O-N 3.13Å; H69-M72 HydrophobicContact CB-CG 4.15Å; H69-M72 HydrophobicContact CB-SD 4.39Å; H69-M72 WeakPolarHBondContact O-CB 3.44Å; H69-M72 PolarHBondContact O-N 2.73Å | ||
| 70 | P | 92.3 | Very high | 95.2 | Very high | 27 Ų | 27 | 43.4 Ų | 43.4 | 18% | 0.175 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -28.3 | -173.1 | 21.5 | -33.3 | 0 | 0 | 0 | 114.3 | M96 Y128 K130 | P70-M96 HydrophobicContact CB-CE 4.16Å; P70-Y128 HydrophobicContact CB-CD2 4.43Å; P70-Y128 HydrophobicContact CB-CE2 3.7Å; P70-Y128 HydrophobicContact CG-CE2 4.18Å; P70-K130 WeakPolarHBondContact O-CD 3.17Å; P70-K130 PolarHBondContact O-NZ 3.4Å |
| 71 | Q | 92 | Very high | 95.4 | Very high | 68 Ų | 68 | 40.7 Ų | 40.7 | 32% | 0.318 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | -15.8 | 177.4 | -64.1 | 169.3 | 3.5 | 0 | 0 | 114.2 | R27 V29 F48 H69 T73 | R27-Q71 PolarHBondContact O-NE2 3.18Å; R27-Q71 PolarHBondContact O-OE1 3.32Å; V29-Q71 VanDerWaalsContact CG2-OE1 3.31Å; F48-Q71 HydrophobicContact CE1-CB 4.03Å; H69-Q71 PolarHBondContact ND1-N 3.21Å; H69-Q71 PolarHBondContact O-N 3.14Å; H69-Q71 VanDerWaalsContact O-N 3.13Å; Q71-T73 PolarHBondContact O-N 2.8Å |
| 72 | M | 93.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -66.9 | 133 | -179.1 | -83.9 | -177.9 | 85.3 | 0 | 0 | 111.7 | F48 V68 H69 D76 V77 Y80 K130 | F48-M72 HydrophobicContact CB-CG 3.66Å; F48-M72 HydrophobicContact CB-SD 3.58Å; F48-M72 VanDerWaalsContact CB-SD 3.58Å; F48-M72 HydrophobicContact CD1-CG 3.87Å; F48-M72 HydrophobicContact CD2-CG 3.53Å; F48-M72 HydrophobicContact CD2-SD 4.29Å; F48-M72 HydrophobicContact CE1-CG 4.39Å; F48-M72 HydrophobicContact CE2-CG 4.09Å; F48-M72 HydrophobicContact CG-CG 3.4Å; F48-M72 HydrophobicContact CG-SD 4.03Å; F48-M72 HydrophobicContact CZ-CG 4.49Å; V68-M72 HydrophobicContact CB-SD 4.25Å; H69-M72 HydrophobicContact CB-CG 4.15Å; H69-M72 HydrophobicContact CB-SD 4.39Å; H69-M72 WeakPolarHBondContact O-CB 3.44Å; H69-M72 PolarHBondContact O-N 2.73Å; M72-D76 HydrophobicContact CB-CB 4.41Å; M72-D76 HydrophobicContact CE-CB 3.99Å; M72-D76 HydrophobicContact CG-CB 4.37Å; M72-V77 HydrophobicContact CB-CG2 4.25Å; M72-V77 HydrophobicContact CE-CB 4.15Å; M72-V77 HydrophobicContact CE-CG2 3.62Å; M72-V77 HydrophobicContact SD-CG2 4.32Å; M72-Y80 HydrophobicContact CE-CD2 4.35Å; M72-Y80 HydrophobicContact CE-CG 4.24Å; M72-K130 WeakPolarHBondContact O-CE 3.47Å; M72-K130 PolarHBondContact O-NZ 2.74Å | ||
| 73 | T | 94.9 | Very high | 95.7 | Very high | 69 Ų | 69 | 45.8 Ų | 45.8 | 42% | 0.423 | 21% | 0.21 | S | C | . | . | trans | -85.9 | 168.7 | 171.9 | 71.9 | 0 | 0 | 0 | 0 | 111.7 | Q71 R75 D76 V77 | Q71-T73 PolarHBondContact O-N 2.8Å; T73-R75 PolarHBondContact O-N 3.48Å; T73-D76 WeakPolarHBondContact CB-OD2 3.36Å; T73-D76 WeakPolarHBondContact CG2-OD2 3.46Å; T73-D76 PolarHBondContact N-OD2 3.36Å; T73-D76 PolarHBondContact O-N 3.3Å; T73-D76 PolarHBondContact OG1-N 3.36Å; T73-D76 PolarHBondContact OG1-OD1 3.31Å; T73-D76 PolarHBondContact OG1-OD2 3.35Å; T73-V77 WeakPolarHBondContact O-CG2 2.98Å; T73-V77 PolarHBondContact O-N 3.24Å; T73-V77 VanDerWaalsContact O-N 3.1Å | ||
| 74 | K | 97.3 | Very high | 95.7 | Very high | 88 Ų | 88 | 47.5 Ų | 47.5 | 38% | 0.383 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -52.9 | -42.9 | 173.6 | 174.4 | -178.1 | 169.1 | 152.6 | 0 | 112.3 | V77 Q78 D91 V92 V94 | K74-V77 PolarHBondContact O-N 2.99Å; K74-Q78 PolarHBondContact O-N 3.37Å; K74-D91 WeakPolarHBondContact CE-OD1 3.49Å; K74-D91 IonicContact NZ-OD1 3.95Å; K74-D91 PolarHBondContact NZ-OD1 2.82Å; K74-V92 WeakPolarHBondContact CD-O 3.41Å; K74-V92 WeakPolarHBondContact CE-O 3.22Å; K74-V92 HydrophobicContact CG-CB 3.92Å; K74-V92 HydrophobicContact CG-CG1 4.3Å; K74-V92 VanDerWaalsContact CG-O 3.3Å; K74-V92 WeakPolarHBondContact CG-O 3.28Å; K74-V92 PolarHBondContact NZ-O 2.81Å; K74-V94 HydrophobicContact CB-CG2 4.23Å |
| 75 | R | 95.9 | Very high | 95.7 | Very high | 163 Ų | 163 | 53.8 Ų | 53.8 | 62% | 0.615 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -71.6 | -34.3 | -178.2 | -61.1 | -64 | -70.6 | -142 | -1.9 | 111.3 | T73 Q78 Q79 | T73-R75 PolarHBondContact O-N 3.48Å; R75-Q78 PolarHBondContact O-N 3.06Å; R75-Q79 WeakPolarHBondContact O-CG 3.47Å; R75-Q79 PolarHBondContact O-N 3.47Å |
| 76 | D | 95.1 | Very high | 95.7 | Very high | 39 Ų | 39 | 59.7 Ų | 59.7 | 21% | 0.209 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.7 | -44.5 | 175.3 | -56.4 | -35.4 | 0 | 0 | 0 | 110.8 | M72 T73 Q78 Q79 Y80 | M72-D76 HydrophobicContact CB-CB 4.41Å; M72-D76 HydrophobicContact CE-CB 3.99Å; M72-D76 HydrophobicContact CG-CB 4.37Å; T73-D76 WeakPolarHBondContact CB-OD2 3.36Å; T73-D76 WeakPolarHBondContact CG2-OD2 3.46Å; T73-D76 PolarHBondContact N-OD2 3.36Å; T73-D76 PolarHBondContact O-N 3.3Å; T73-D76 PolarHBondContact OG1-N 3.36Å; T73-D76 PolarHBondContact OG1-OD1 3.31Å; T73-D76 PolarHBondContact OG1-OD2 3.35Å; D76-Q78 VanDerWaalsContact C-N 3.33Å; D76-Q78 PolarHBondContact O-N 3.21Å; D76-Q79 PolarHBondContact O-N 3.27Å; D76-Y80 WeakPolarHBondContact O-CB 3.38Å; D76-Y80 PolarHBondContact O-N 2.9Å |
| 77 | V | 97.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.7 | -44.3 | 177.7 | 176.9 | 0 | 0 | 0 | 0 | 111.2 | M50 V68 M72 T73 K74 Y80 L81 V92 A132 V134 | M50-V77 HydrophobicContact SD-CG1 4.27Å; V68-V77 HydrophobicContact CB-CG2 4.47Å; V68-V77 HydrophobicContact CG1-CG2 3.95Å; M72-V77 HydrophobicContact CB-CG2 4.25Å; M72-V77 HydrophobicContact CE-CB 4.15Å; M72-V77 HydrophobicContact CE-CG2 3.62Å; M72-V77 HydrophobicContact SD-CG2 4.32Å; T73-V77 WeakPolarHBondContact O-CG2 2.98Å; T73-V77 PolarHBondContact O-N 3.24Å; T73-V77 VanDerWaalsContact O-N 3.1Å; K74-V77 PolarHBondContact O-N 2.99Å; V77-Y80 PolarHBondContact O-N 2.85Å; V77-L81 HydrophobicContact CG1-CD1 4.3Å; V77-L81 PolarHBondContact O-N 3.41Å; V77-L81 VanDerWaalsContact O-N 3.15Å; V77-V92 HydrophobicContact CB-CG1 4.1Å; V77-V92 HydrophobicContact CG1-CG1 3.88Å; V77-V92 HydrophobicContact CG1-CG2 4.47Å; V77-A132 HydrophobicContact CG1-CB 4.15Å; V77-A132 HydrophobicContact CG2-CB 4.43Å; V77-V134 HydrophobicContact CG1-CG2 4.18Å |
| 78 | Q | 97.2 | Very high | 95.6 | Very high | 36 Ų | 36 | 61 Ų | 61 | 17% | 0.168 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.8 | -52.9 | 176.5 | -178.7 | 176 | 6.3 | 0 | 0 | 111.3 | K74 R75 D76 Y80 L81 E82 V89 V92 | K74-Q78 PolarHBondContact O-N 3.37Å; R75-Q78 PolarHBondContact O-N 3.06Å; D76-Q78 VanDerWaalsContact C-N 3.33Å; D76-Q78 PolarHBondContact O-N 3.21Å; Q78-Y80 VanDerWaalsContact C-N 3.28Å; Q78-Y80 PolarHBondContact O-N 2.68Å; Q78-L81 PolarHBondContact O-N 2.81Å; Q78-E82 HydrophobicContact CG-CG 4.45Å; Q78-E82 WeakPolarHBondContact CG-OE1 3.32Å; Q78-E82 PolarHBondContact NE2-OE1 3.42Å; Q78-E82 WeakPolarHBondContact O-CB 3.14Å; Q78-E82 WeakPolarHBondContact O-CG 3.25Å; Q78-E82 PolarHBondContact O-N 3.39Å; Q78-V89 HydrophobicContact CG-CB 4.43Å; Q78-V89 HydrophobicContact CG-CG1 4.44Å; Q78-V92 HydrophobicContact CB-CG2 4.13Å |
| 79 | Q | 95.7 | Very high | 95.6 | Very high | 79 Ų | 79 | 61.6 Ų | 61.6 | 37% | 0.369 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.5 | -34.3 | 180 | -72.4 | -174.6 | 40.3 | 0 | 0 | 112.8 | R75 D76 K83 | R75-Q79 WeakPolarHBondContact O-CG 3.47Å; R75-Q79 PolarHBondContact O-N 3.47Å; D76-Q79 PolarHBondContact O-N 3.27Å; Q79-K83 HydrophobicContact CB-CD 4.4Å; Q79-K83 WeakPolarHBondContact O-CB 3.41Å; Q79-K83 VanDerWaalsContact O-CG 3.31Å; Q79-K83 WeakPolarHBondContact O-CG 3.07Å; Q79-K83 PolarHBondContact O-N 3.14Å |
| 80 | Y | 96.5 | Very high | 95.7 | Very high | 38 Ų | 38 | 64.9 Ų | 64.9 | 15% | 0.149 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.5 | -47 | 178.9 | -166.4 | -89.1 | 0 | 0 | 0 | 110.8 | P46 F48 M50 M72 D76 V77 Q78 I84 Y85 | P46-Y80 HydrophobicContact CB-CD2 4.44Å; P46-Y80 HydrophobicContact CB-CE2 4.2Å; P46-Y80 HydrophobicContact CG-CD2 4.22Å; P46-Y80 HydrophobicContact CG-CE2 3.82Å; F48-Y80 PolarHBondContact O-OH 2.62Å; M50-Y80 HydrophobicContact CB-CE1 4.43Å; M50-Y80 HydrophobicContact CE-CD1 4.01Å; M50-Y80 HydrophobicContact CE-CE1 4.3Å; M72-Y80 HydrophobicContact CE-CD2 4.35Å; M72-Y80 HydrophobicContact CE-CG 4.24Å; D76-Y80 WeakPolarHBondContact O-CB 3.38Å; D76-Y80 PolarHBondContact O-N 2.9Å; V77-Y80 PolarHBondContact O-N 2.85Å; Q78-Y80 VanDerWaalsContact C-N 3.28Å; Q78-Y80 PolarHBondContact O-N 2.68Å; Y80-I84 HydrophobicContact CD1-CD1 4.16Å; Y80-I84 HydrophobicContact CD2-CD1 3.48Å; Y80-I84 VanDerWaalsContact CD2-CD1 3.48Å; Y80-I84 HydrophobicContact CE1-CD1 4.09Å; Y80-I84 HydrophobicContact CE2-CD1 3.38Å; Y80-I84 HydrophobicContact CG-CD1 3.86Å; Y80-I84 VanDerWaalsContact O-CB 3.25Å; Y80-I84 WeakPolarHBondContact O-CB 3.15Å; Y80-I84 PolarHBondContact O-N 3.46Å; Y80-Y85 HydrophobicContact CD1-CD2 4.4Å; Y80-Y85 HydrophobicContact CD1-CE2 4.13Å; Y80-Y85 HydrophobicContact CE1-CD2 4.41Å; Y80-Y85 AromaticContact CE1-CE2 3.71Å; Y80-Y85 HydrophobicContact CE1-CE2 3.71Å |
| 81 | L | 96.8 | Very high | 96 | Very high | 6 Ų | 6 | 65.7 Ų | 65.7 | 3% | 0.031 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -67 | -44.1 | 177.2 | -74.1 | 172.4 | 0 | 0 | 0 | 112.5 | M50 F66 V77 Q78 Y85 N86 V87 V89 V134 | M50-L81 HydrophobicContact CE-CD1 4.41Å; M50-L81 HydrophobicContact CE-CD2 3.4Å; M50-L81 HydrophobicContact CE-CG 3.85Å; F66-L81 HydrophobicContact CE2-CD1 4.02Å; F66-L81 HydrophobicContact CE2-CD2 4.37Å; F66-L81 HydrophobicContact CZ-CD2 4.07Å; V77-L81 HydrophobicContact CG1-CD1 4.3Å; V77-L81 PolarHBondContact O-N 3.41Å; V77-L81 VanDerWaalsContact O-N 3.15Å; Q78-L81 PolarHBondContact O-N 2.81Å; L81-Y85 HydrophobicContact CD2-CD2 4.29Å; L81-Y85 CarbonylContact O-C 3.59Å; L81-Y85 WeakPolarHBondContact O-CA 3.46Å; L81-Y85 WeakPolarHBondContact O-CB 3.22Å; L81-Y85 PolarHBondContact O-N 3.37Å; L81-N86 PolarHBondContact O-N 2.67Å; L81-V87 HydrophobicContact CB-CB 4.43Å; L81-V87 PolarHBondContact O-N 3.13Å; L81-V89 HydrophobicContact CB-CG2 3.95Å; L81-V89 HydrophobicContact CD1-CG2 3.94Å; L81-V134 HydrophobicContact CD1-CB 4.39Å; L81-V134 HydrophobicContact CD1-CG1 3.79Å; L81-V134 HydrophobicContact CD1-CG2 3.85Å |
| 82 | E | 96.7 | Very high | 96.2 | Very high | 70 Ų | 70 | 62.5 Ų | 62.5 | 33% | 0.327 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -69.1 | -42.6 | -179.2 | -72.3 | 171.9 | -175.6 | 0 | 0 | 112.3 | Q78 N86 V87 | Q78-E82 HydrophobicContact CG-CG 4.45Å; Q78-E82 WeakPolarHBondContact CG-OE1 3.32Å; Q78-E82 PolarHBondContact NE2-OE1 3.42Å; Q78-E82 WeakPolarHBondContact O-CB 3.14Å; Q78-E82 WeakPolarHBondContact O-CG 3.25Å; Q78-E82 PolarHBondContact O-N 3.39Å; E82-N86 VanDerWaalsContact O-CA 3.26Å; E82-N86 WeakPolarHBondContact O-CA 3.39Å; E82-N86 PolarHBondContact O-N 2.74Å; E82-V87 WeakPolarHBondContact CG-O 3.28Å |
| 83 | K | 95.1 | Very high | 96.4 | Very high | 147 Ų | 147 | 70.9 Ų | 70.9 | 64% | 0.639 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -87.6 | -35.5 | -173.3 | -65.1 | 178.2 | 175.6 | 171.8 | 0 | 114.3 | Q79 | Q79-K83 HydrophobicContact CB-CD 4.4Å; Q79-K83 WeakPolarHBondContact O-CB 3.41Å; Q79-K83 VanDerWaalsContact O-CG 3.31Å; Q79-K83 WeakPolarHBondContact O-CG 3.07Å; Q79-K83 PolarHBondContact O-N 3.14Å |
| 84 | I | 95.6 | Very high | 96.6 | Very high | 83 Ų | 83 | 69.9 Ų | 69.9 | 43% | 0.426 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -92.7 | -43 | -175.8 | -56.8 | 176.4 | 0 | 0 | 0 | 110.5 | P46 Y80 | P46-I84 HydrophobicContact CG-CD1 4.06Å; Y80-I84 HydrophobicContact CD1-CD1 4.16Å; Y80-I84 HydrophobicContact CD2-CD1 3.48Å; Y80-I84 VanDerWaalsContact CD2-CD1 3.48Å; Y80-I84 HydrophobicContact CE1-CD1 4.09Å; Y80-I84 HydrophobicContact CE2-CD1 3.38Å; Y80-I84 HydrophobicContact CG-CD1 3.86Å; Y80-I84 VanDerWaalsContact O-CB 3.25Å; Y80-I84 WeakPolarHBondContact O-CB 3.15Å; Y80-I84 PolarHBondContact O-N 3.46Å |
| 85 | Y | 96 | Very high | 96.5 | Very high | 136 Ų | 136 | 71.7 Ų | 71.7 | 53% | 0.533 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -103.4 | -5.2 | -175.8 | -66.3 | -78.4 | 0 | 0 | 0 | 114 | Y80 L81 V87 | Y80-Y85 HydrophobicContact CD1-CD2 4.4Å; Y80-Y85 HydrophobicContact CD1-CE2 4.13Å; Y80-Y85 HydrophobicContact CE1-CD2 4.41Å; Y80-Y85 AromaticContact CE1-CE2 3.71Å; Y80-Y85 HydrophobicContact CE1-CE2 3.71Å; L81-Y85 HydrophobicContact CD2-CD2 4.29Å; L81-Y85 CarbonylContact O-C 3.59Å; L81-Y85 WeakPolarHBondContact O-CA 3.46Å; L81-Y85 WeakPolarHBondContact O-CB 3.22Å; L81-Y85 PolarHBondContact O-N 3.37Å; Y85-V87 PolarHBondContact O-N 2.6Å |
| 86 | N | 96.9 | Very high | 96.5 | Very high | 132 Ų | 132 | 67 Ų | 67 | 71% | 0.706 | 32% | 0.321 | S | S | * | . | trans | 55.2 | 31.6 | -176.7 | -53 | -57.7 | 0 | 0 | 0 | 113.2 | L81 E82 | L81-N86 PolarHBondContact O-N 2.67Å; E82-N86 VanDerWaalsContact O-CA 3.26Å; E82-N86 WeakPolarHBondContact O-CA 3.39Å; E82-N86 PolarHBondContact O-N 2.74Å | ||
| 87 | V | 95.6 | Very high | 96.5 | Very high | 44 Ų | 44 | 67.3 Ų | 67.3 | 27% | 0.267 | 32% | 0.324 | S | S | . | . | trans | -90 | 124.8 | 179.4 | 176.6 | 0 | 0 | 0 | 0 | 109 | L81 E82 Y85 V89 L136 | L81-V87 HydrophobicContact CB-CB 4.43Å; L81-V87 PolarHBondContact O-N 3.13Å; E82-V87 WeakPolarHBondContact CG-O 3.28Å; Y85-V87 PolarHBondContact O-N 2.6Å; V87-V89 HydrophobicContact CG1-CG2 4.27Å; V87-V89 PolarHBondContact O-N 2.96Å; V87-L136 HydrophobicContact CG1-CD2 3.59Å | ||
| 88 | P | 96.1 | Very high | 96.4 | Very high | 53 Ų | 53 | 75.1 Ų | 75.1 | 34% | 0.344 | 36% | 0.355 | S | S | . | . | trans | -78.6 | 120.2 | 179.3 | 34.5 | -36.4 | 0 | 0 | 0 | 110.3 | V137 E140 | P88-V137 HydrophobicContact CB-CB 4.5Å; P88-V137 HydrophobicContact CB-CG2 3.62Å; P88-V137 HydrophobicContact CG-CB 4.44Å; P88-V137 HydrophobicContact CG-CG2 4.07Å; P88-E140 WeakPolarHBondContact CG-OE2 3.42Å | ||
| 89 | V | 97.2 | Very high | 96.1 | Very high | 12 Ų | 12 | 76.9 Ų | 76.9 | 7% | 0.073 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 134.3 | -175 | 177.7 | 0 | 0 | 0 | 0 | 110.5 | Q78 L81 V87 V92 V134 | Q78-V89 HydrophobicContact CG-CB 4.43Å; Q78-V89 HydrophobicContact CG-CG1 4.44Å; L81-V89 HydrophobicContact CB-CG2 3.95Å; L81-V89 HydrophobicContact CD1-CG2 3.94Å; V87-V89 HydrophobicContact CG1-CG2 4.27Å; V87-V89 PolarHBondContact O-N 2.96Å; V89-V92 HydrophobicContact CG1-CG2 3.55Å; V89-V134 HydrophobicContact CB-CG1 4.37Å; V89-V134 HydrophobicContact CG1-CG1 3.64Å; V89-V134 HydrophobicContact CG2-CG1 3.79Å |
| 90 | V | 96.5 | Very high | 95.9 | Very high | 73 Ų | 73 | 80.3 Ų | 80.3 | 44% | 0.442 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | -52 | 177.9 | 176.6 | 0 | 0 | 0 | 0 | 111.2 | R135 L136 V137 | V90-R135 PolarHBondContact N-O 3.13Å; V90-L136 WeakPolarHBondContact CG2-O 3.41Å; V90-V137 VanDerWaalsContact CG2-CA 3.5Å; V90-V137 HydrophobicContact CG2-CB 4.32Å; V90-V137 HydrophobicContact CG2-CG2 3.9Å |
| 91 | D | 97 | Very high | 95.5 | Very high | 44 Ų | 44 | 85.1 Ų | 85.1 | 24% | 0.235 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 149 | -176.3 | -172 | 36.3 | 0 | 0 | 0 | 110.2 | K74 R93 R135 | K74-D91 WeakPolarHBondContact CE-OD1 3.49Å; K74-D91 IonicContact NZ-OD1 3.95Å; K74-D91 PolarHBondContact NZ-OD1 2.82Å; D91-R93 IonicContact OD2-NE 3.6Å; D91-R135 HydrophobicContact CB-CB 4.33Å; D91-R135 PolarHBondContact N-O 2.82Å; D91-R135 PolarHBondContact O-N 3.25Å |
| 92 | V | 97.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 87.4 Ų | 87.4 | 0% | 0 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 133.4 | 174.8 | -179 | 0 | 0 | 0 | 0 | 108.6 | K74 V77 Q78 V89 V94 A132 Y133 V134 | K74-V92 WeakPolarHBondContact CD-O 3.41Å; K74-V92 WeakPolarHBondContact CE-O 3.22Å; K74-V92 HydrophobicContact CG-CB 3.92Å; K74-V92 HydrophobicContact CG-CG1 4.3Å; K74-V92 VanDerWaalsContact CG-O 3.3Å; K74-V92 WeakPolarHBondContact CG-O 3.28Å; K74-V92 PolarHBondContact NZ-O 2.81Å; V77-V92 HydrophobicContact CB-CG1 4.1Å; V77-V92 HydrophobicContact CG1-CG1 3.88Å; V77-V92 HydrophobicContact CG1-CG2 4.47Å; Q78-V92 HydrophobicContact CB-CG2 4.13Å; V89-V92 HydrophobicContact CG1-CG2 3.55Å; V92-V94 HydrophobicContact CG1-CG2 3.92Å; V92-A132 HydrophobicContact CG1-CB 4.33Å; V92-Y133 CarbonylContact C-O 3.52Å; V92-Y133 WeakPolarHBondContact CA-O 3.39Å; V92-V134 HydrophobicContact CG1-CG2 4.23Å; V92-V134 HydrophobicContact CG2-CG1 4.38Å; V92-V134 HydrophobicContact CG2-CG2 4.16Å |
| 93 | R | 97.6 | Very high | 94.2 | Very high | 177 Ų | 177 | 86.7 Ų | 86.7 | 67% | 0.668 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 130.5 | 171.6 | -65.3 | -175.9 | 177.1 | -148.3 | -1.1 | 108.6 | D91 A132 Y133 | D91-R93 IonicContact OD2-NE 3.6Å; R93-A132 CarbonylContact O-C 3.53Å; R93-A132 WeakPolarHBondContact O-CA 3.11Å; R93-Y133 PolarHBondContact N-O 3.26Å; R93-Y133 PolarHBondContact O-N 2.73Å |
| 94 | V | 97.7 | Very high | 93.6 | Very high | 48 Ų | 48 | 87.6 Ų | 87.6 | 29% | 0.291 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 135.7 | -177.6 | -166.1 | 0 | 0 | 0 | 0 | 109.2 | V68 K74 V92 K130 V131 A132 | V68-V94 HydrophobicContact CG2-CG1 4.33Å; K74-V94 HydrophobicContact CB-CG2 4.23Å; V92-V94 HydrophobicContact CG1-CG2 3.92Å; V94-K130 HydrophobicContact CG1-CD 3.83Å; V94-K130 HydrophobicContact CG1-CG 3.38Å; V94-V131 CarbonylContact C-O 3.56Å; V94-V131 WeakPolarHBondContact CA-O 3.26Å; V94-A132 HydrophobicContact CG2-CB 4.2Å |
| 95 | K | 96.6 | Very high | 92.9 | Very high | 126 Ų | 126 | 91 Ų | 91 | 55% | 0.548 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 137.1 | 179.5 | -180 | 179 | 176.1 | -176.2 | 0 | 109.4 | V97 V131 | K95-V97 HydrophobicContact CD-CG2 4.43Å; K95-V97 HydrophobicContact CG-CG2 4.38Å; K95-V131 PolarHBondContact N-O 2.75Å; K95-V131 PolarHBondContact O-N 3Å |
| 96 | M | 96.1 | Very high | 92.1 | Very high | 65 Ų | 65 | 86.1 Ų | 86.1 | 32% | 0.32 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 126.1 | 166.8 | -145.9 | 78.8 | 158.4 | 0 | 0 | 108.2 | P70 Y98 Y128 K130 | P70-M96 HydrophobicContact CB-CE 4.16Å; M96-Y98 HydrophobicContact CB-CE2 4.24Å; M96-Y98 HydrophobicContact CG-CE2 4.12Å; M96-Y128 HydrophobicContact CE-CD1 4.47Å; M96-Y128 HydrophobicContact CE-CD2 3.29Å; M96-Y128 HydrophobicContact CE-CE2 3.43Å; M96-Y128 VanDerWaalsContact CE-CE2 3.43Å; M96-Y128 HydrophobicContact CE-CG 3.88Å; M96-Y128 HydrophobicContact SD-CD2 4.35Å; M96-K130 HydrophobicContact SD-CB 4.06Å; M96-K130 HydrophobicContact SD-CD 4.2Å; M96-K130 HydrophobicContact SD-CG 4.12Å |
| 97 | V | 95.1 | Very high | 91.3 | Very high | 45 Ų | 45 | 82.9 Ų | 82.9 | 27% | 0.273 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 128 | 177 | -179.9 | 0 | 0 | 0 | 0 | 107.6 | K95 Y128 E129 V131 | K95-V97 HydrophobicContact CD-CG2 4.43Å; K95-V97 HydrophobicContact CG-CG2 4.38Å; V97-Y128 CarbonylContact O-C 3.22Å; V97-Y128 WeakPolarHBondContact O-CA 3.38Å; V97-Y128 WeakPolarHBondContact O-CB 3.42Å; V97-E129 PolarHBondContact N-O 2.84Å; V97-E129 PolarHBondContact O-N 3.18Å; V97-V131 HydrophobicContact CB-CG2 4.47Å; V97-V131 HydrophobicContact CG2-CB 4.36Å; V97-V131 HydrophobicContact CG2-CG2 3.77Å |
| 98 | Y | 94.2 | Very high | 90.7 | Very high | 163 Ų | 163 | 84.4 Ų | 84.4 | 64% | 0.639 | 44% | 0.438 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 143.3 | 177 | -68.1 | -91.4 | 0 | 0 | 0 | 109.7 | M96 R127 Y128 | M96-Y98 HydrophobicContact CB-CE2 4.24Å; M96-Y98 HydrophobicContact CG-CE2 4.12Å; Y98-R127 CarbonylContact C-O 3.48Å; Y98-R127 WeakPolarHBondContact CA-O 3.21Å; Y98-Y128 HydrophobicContact CE1-CD1 4.05Å; Y98-Y128 HydrophobicContact CE1-CG 4.32Å |
| 99 | H | 91.3 | Very high | 90.1 | Very high | 74 Ų | 74 | 89.1 Ų | 89.1 | 34% | 0.343 | 45% | 0.453 | S | S | . | . | trans | -107.1 | 138.3 | 176 | -55.9 | -53.7 | 0 | 0 | 0 | 109.1 | L101 R127 E129 | H99-L101 VanDerWaalsContact C-N 3.32Å; H99-R127 PolarHBondContact N-O 2.86Å; H99-E129 IonicContact CD2-OE1 3.94Å; H99-E129 IonicContact CE1-OE1 2.68Å; H99-E129 WeakPolarHBondContact NE2-CG 3.16Å; H99-E129 IonicContact NE2-OE1 2.6Å; H99-E129 PolarHBondContact NE2-OE1 3.31Å | ||
| 100 | D | 90.4 | Very high | 89.3 | Confident | 150 Ų | 150 | 94 Ų | 94 | 80% | 0.802 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -70.3 | -35.1 | 179.5 | -59.4 | -36.7 | 0 | 0 | 0 | 111.4 | R127 | D100-R127 PolarHBondContact O-NH1 3.33Š|
| 101 | L | 88.4 | Confident | 88.6 | Confident | 140 Ų | 140 | 92.5 Ų | 92.5 | 73% | 0.733 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -102.7 | 157.4 | -174.8 | -58.4 | 179.4 | 0 | 0 | 0 | 112.6 | H99 | H99-L101 VanDerWaalsContact C-N 3.32Š|
| 102 | E | 84.2 | Confident | 87.9 | Confident | 54 Ų | 54 | 93 Ų | 93 | 25% | 0.252 | 47% | 0.474 | S | S | . | . | P | Polyproline II helix | trans | -68 | 148.7 | 170.2 | -65.5 | -174.4 | 177.9 | 0 | 0 | 109.9 | I104 R114 P125 R127 | E102-I104 PolarHBondContact O-N 3.07Å; E102-R114 IonicContact OE1-NH1 3.67Å; E102-R114 PolarHBondContact OE1-NH1 2.82Å; E102-R114 IonicContact OE2-CZ 2.81Å; E102-R114 IonicContact OE2-NH1 2.74Å; E102-R114 PolarHBondContact OE2-NH1 2.77Å; E102-R114 IonicContact OE2-NH2 3.75Å; E102-R114 PolarHBondContact OE2-NH2 2.99Å; E102-P125 HydrophobicContact CB-CG 4.21Å; E102-P125 HydrophobicContact CG-CG 4.19Å; E102-R127 VanDerWaalsContact CG-CZ 3.48Å; E102-R127 IonicContact OE1-CZ 2.91Å; E102-R127 IonicContact OE1-NE 3.99Å; E102-R127 IonicContact OE1-NH2 3.02Å; E102-R127 PolarHBondContact OE1-NH2 2.67Å |
| 103 | P | 83.3 | Confident | 87.2 | Confident | 55 Ų | 55 | 96.2 Ų | 96.2 | 36% | 0.357 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -55 | 134.6 | 173.2 | -23.1 | 33.1 | 0 | 0 | 0 | 111.3 | D105 E106 P125 | P103-D105 PolarHBondContact O-N 2.87Å; P103-E106 PolarHBondContact O-N 3.23Å; P103-P125 HydrophobicContact CG-CB 4.19Å; P103-P125 HydrophobicContact CG-CG 4.37Å |
| 104 | I | 81.5 | Confident | 86.5 | Confident | 166 Ų | 166 | 89 Ų | 89 | 85% | 0.851 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -29.4 | -179.9 | -61.2 | 170 | 0 | 0 | 0 | 111.2 | E102 E106 | E102-I104 PolarHBondContact O-N 3.07Å; I104-E106 PolarHBondContact O-N 3.36Å; I104-E106 VanDerWaalsContact O-N 3.12Å |
| 105 | D | 81.2 | Confident | 85.8 | Confident | 153 Ų | 153 | 94 Ų | 94 | 82% | 0.818 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | 4.2 | -175.7 | -52.1 | -25.8 | 0 | 0 | 0 | 113.8 | P103 | P103-D105 PolarHBondContact O-N 2.87Š|
| 106 | E | 78.9 | Confident | 85.2 | Confident | 35 Ų | 35 | 92.2 Ų | 92.2 | 16% | 0.164 | 50% | 0.495 | C | S | . | . | S | Bend | trans | -74.1 | 125.5 | 178.5 | -162.5 | 177 | -178.9 | 0 | 0 | 111.1 | P103 I104 A108 R110 R114 P125 | P103-E106 PolarHBondContact O-N 3.23Å; I104-E106 PolarHBondContact O-N 3.36Å; I104-E106 VanDerWaalsContact O-N 3.12Å; E106-A108 PolarHBondContact O-N 3.4Å; E106-R110 HydrophobicContact CG-CB 4.48Å; E106-R114 IonicContact OE1-CZ 3.87Å; E106-R114 IonicContact OE1-NE 3.54Å; E106-R114 IonicContact OE1-NH2 3.34Å; E106-R114 PolarHBondContact OE1-NH2 3.44Å; E106-R114 IonicContact OE2-CZ 2.73Å; E106-R114 IonicContact OE2-NH2 3.17Å; E106-R114 PolarHBondContact OE2-NH2 3.45Å; E106-P125 WeakPolarHBondContact OE2-CD 2.85Å; E106-P125 WeakPolarHBondContact OE2-CG 3.34Å |
| 107 | P | 81.7 | Confident | 84.4 | Confident | 63 Ų | 63 | 92 Ų | 92 | 41% | 0.409 | 50% | 0.495 | S | S | . | . | trans | -63.2 | 129.3 | -179.9 | 24.5 | -33.7 | 0 | 0 | 0 | 110.4 | F109 R110 | P107-F109 PolarHBondContact O-N 2.76Å; P107-R110 HydrophobicContact CG-CB 4.36Å; P107-R110 HydrophobicContact CG-CG 3.96Å; P107-R110 PolarHBondContact O-N 2.74Å | ||
| 108 | A | 82.5 | Confident | 83.5 | Confident | 76 Ų | 76 | 95.4 Ų | 95.4 | 63% | 0.628 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -52.6 | -28.5 | -179 | 0 | 0 | 0 | 0 | 0 | 113.6 | E106 R110 S111 A112 | E106-A108 PolarHBondContact O-N 3.4Å; A108-R110 VanDerWaalsContact C-N 3.32Å; A108-R110 PolarHBondContact O-N 3.03Å; A108-S111 PolarHBondContact O-N 2.79Å; A108-S111 PolarHBondContact O-OG 2.83Å; A108-A112 WeakPolarHBondContact O-CB 3.26Å; A108-A112 PolarHBondContact O-N 2.79Å |
| 109 | F | 83.7 | Confident | 82.8 | Confident | 153 Ų | 153 | 91.3 Ų | 91.3 | 67% | 0.671 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -59.3 | -40.1 | 174.1 | 179.8 | -98.1 | 0 | 0 | 0 | 112.9 | P107 Q113 | P107-F109 PolarHBondContact O-N 2.76Å; F109-Q113 WeakPolarHBondContact O-CB 3.34Å; F109-Q113 PolarHBondContact O-N 2.84Å |
| 110 | R | 79.9 | Confident | 82 | Confident | 113 Ų | 113 | 93.6 Ų | 93.6 | 43% | 0.426 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -71.1 | -38 | 179.7 | -75.3 | -171.8 | -169.4 | 161.8 | 5.2 | 112.4 | E106 P107 A108 Q113 R114 P122 | E106-R110 HydrophobicContact CG-CB 4.48Å; P107-R110 HydrophobicContact CG-CB 4.36Å; P107-R110 HydrophobicContact CG-CG 3.96Å; P107-R110 PolarHBondContact O-N 2.74Å; A108-R110 VanDerWaalsContact C-N 3.32Å; A108-R110 PolarHBondContact O-N 3.03Å; R110-Q113 PolarHBondContact O-N 3.3Å; R110-R114 PolarHBondContact O-N 3.19Å; R110-R114 VanDerWaalsContact O-N 3.07Å; R110-P122 HydrophobicContact CB-CG 4.15Å; R110-P122 HydrophobicContact CG-CG 4.04Å |
| 111 | S | 81 | Confident | 81.1 | Confident | 43 Ų | 43 | 91.8 Ų | 91.8 | 30% | 0.301 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.1 | -41.3 | 176.7 | 67.6 | 0 | 0 | 0 | 0 | 110.8 | A108 R114 L115 | A108-S111 PolarHBondContact O-N 2.79Å; A108-S111 PolarHBondContact O-OG 2.83Å; S111-R114 PolarHBondContact O-N 3.48Å; S111-L115 WeakPolarHBondContact O-CG 3.5Å; S111-L115 PolarHBondContact O-N 3.15Å |
| 112 | A | 83.3 | Confident | 80.5 | Confident | 55 Ų | 55 | 85.5 Ų | 85.5 | 46% | 0.455 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64 | -43.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | A108 R114 L115 A116 | A108-A112 WeakPolarHBondContact O-CB 3.26Å; A108-A112 PolarHBondContact O-N 2.79Å; A112-R114 VanDerWaalsContact C-N 3.32Å; A112-R114 PolarHBondContact O-N 2.91Å; A112-L115 PolarHBondContact O-N 3.41Å; A112-L115 VanDerWaalsContact O-N 3.11Å; A112-A116 PolarHBondContact O-N 2.84Å |
| 113 | Q | 83.1 | Confident | 80.2 | Confident | 66 Ų | 66 | 85.6 Ų | 85.6 | 31% | 0.308 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59.5 | -42.1 | 177 | -170 | 174.1 | 7.6 | 0 | 0 | 111.8 | F109 R110 L115 A116 D117 | F109-Q113 WeakPolarHBondContact O-CB 3.34Å; F109-Q113 PolarHBondContact O-N 2.84Å; R110-Q113 PolarHBondContact O-N 3.3Å; Q113-L115 VanDerWaalsContact C-N 3.3Å; Q113-L115 PolarHBondContact O-N 2.83Å; Q113-A116 PolarHBondContact O-N 3.35Å; Q113-D117 WeakPolarHBondContact O-CB 3.26Å; Q113-D117 PolarHBondContact O-N 2.97Å |
| 114 | R | 83.2 | Confident | 80.1 | Confident | 26 Ų | 26 | 88.5 Ų | 88.5 | 10% | 0.098 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -61.5 | -34.8 | 174.5 | -83.7 | -172.2 | -83.1 | 135.7 | -13.4 | 113.9 | E102 E106 R110 S111 A112 P122 | E102-R114 IonicContact OE1-NH1 3.67Å; E102-R114 PolarHBondContact OE1-NH1 2.82Å; E102-R114 IonicContact OE2-CZ 2.81Å; E102-R114 IonicContact OE2-NH1 2.74Å; E102-R114 PolarHBondContact OE2-NH1 2.77Å; E102-R114 IonicContact OE2-NH2 3.75Å; E102-R114 PolarHBondContact OE2-NH2 2.99Å; E106-R114 IonicContact OE1-CZ 3.87Å; E106-R114 IonicContact OE1-NE 3.54Å; E106-R114 IonicContact OE1-NH2 3.34Å; E106-R114 PolarHBondContact OE1-NH2 3.44Å; E106-R114 IonicContact OE2-CZ 2.73Å; E106-R114 IonicContact OE2-NH2 3.17Å; E106-R114 PolarHBondContact OE2-NH2 3.45Å; R110-R114 PolarHBondContact O-N 3.19Å; R110-R114 VanDerWaalsContact O-N 3.07Å; S111-R114 PolarHBondContact O-N 3.48Å; A112-R114 VanDerWaalsContact C-N 3.32Å; A112-R114 PolarHBondContact O-N 2.91Å; R114-P122 WeakPolarHBondContact CD-O 3.28Å; R114-P122 WeakPolarHBondContact CG-O 3.29Å |
| 115 | L | 82.2 | Confident | 80.2 | Confident | 152 Ų | 152 | 81.1 Ų | 81.1 | 80% | 0.796 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -73.7 | -32.8 | 179 | -73.7 | 163.2 | 0 | 0 | 0 | 111.4 | S111 A112 Q113 | S111-L115 WeakPolarHBondContact O-CG 3.5Å; S111-L115 PolarHBondContact O-N 3.15Å; A112-L115 PolarHBondContact O-N 3.41Å; A112-L115 VanDerWaalsContact O-N 3.11Å; Q113-L115 VanDerWaalsContact C-N 3.3Å; Q113-L115 PolarHBondContact O-N 2.83Å |
| 116 | A | 84.1 | Confident | 80.3 | Confident | 90 Ų | 90 | 77.4 Ų | 77.4 | 74% | 0.744 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -79.4 | -34.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | A112 Q113 | A112-A116 PolarHBondContact O-N 2.84Å; Q113-A116 PolarHBondContact O-N 3.35Å |
| 117 | D | 79.3 | Confident | 80.8 | Confident | 60 Ų | 60 | 79.8 Ų | 79.8 | 32% | 0.321 | 44% | 0.437 | S | S | . | . | trans | -90.7 | 115.4 | -175.7 | -155.4 | -22.9 | 0 | 0 | 0 | 111.2 | Q113 T119 Q120 | Q113-D117 WeakPolarHBondContact O-CB 3.26Å; Q113-D117 PolarHBondContact O-N 2.97Å; D117-T119 PolarHBondContact O-N 3.05Å; D117-T119 PolarHBondContact OD1-N 2.77Å; D117-T119 PolarHBondContact OD1-OG1 3.02Å; D117-T119 PolarHBondContact OD2-OG1 2.82Å; D117-Q120 PolarHBondContact O-N 2.85Å | ||
| 118 | S | 76.7 | Confident | 81.2 | Confident | 116 Ų | 116 | 80.2 Ų | 80.2 | 81% | 0.811 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -24.9 | -179.7 | 72.7 | 0 | 0 | 0 | 0 | 113.2 | Q120 | S118-Q120 PolarHBondContact O-N 2.92Š|
| 119 | T | 78.9 | Confident | 81.7 | Confident | 77 Ų | 77 | 79 Ų | 79 | 47% | 0.472 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -4.7 | 179.6 | 61.3 | 0 | 0 | 0 | 0 | 113.1 | D117 F121 | D117-T119 PolarHBondContact O-N 3.05Å; D117-T119 PolarHBondContact OD1-N 2.77Å; D117-T119 PolarHBondContact OD1-OG1 3.02Å; D117-T119 PolarHBondContact OD2-OG1 2.82Å; T119-F121 PolarHBondContact O-N 2.67Å; T119-F121 VanDerWaalsContact OG1-CD2 3.24Å; T119-F121 WeakPolarHBondContact OG1-CD2 3.1Å |
| 120 | Q | 74 | Confident | 82.3 | Confident | 122 Ų | 122 | 73.6 Ų | 73.6 | 57% | 0.57 | 39% | 0.388 | S | S | * | . | trans | 58 | 31.4 | -178.3 | -57.8 | 172.2 | 9.1 | 0 | 0 | 113.1 | D117 S118 P122 | D117-Q120 PolarHBondContact O-N 2.85Å; S118-Q120 PolarHBondContact O-N 2.92Å; Q120-P122 CarbonylContact O-C 3.58Å; Q120-P122 VanDerWaalsContact O-C 3.22Å | ||
| 121 | F | 71.4 | Confident | 83.1 | Confident | 113 Ų | 113 | 68.7 Ų | 68.7 | 50% | 0.496 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -89.6 | 138.4 | 170.7 | -74.9 | -66.5 | 0 | 0 | 0 | 111 | T119 | T119-F121 PolarHBondContact O-N 2.67Å; T119-F121 VanDerWaalsContact OG1-CD2 3.24Å; T119-F121 WeakPolarHBondContact OG1-CD2 3.1Å |
| 122 | P | 76 | Confident | 83.9 | Confident | 8 Ų | 8 | 66.6 Ų | 66.6 | 5% | 0.052 | 36% | 0.356 | C | S | . | . | S | Bend | cis | -67.4 | 153.4 | -6.5 | 24.9 | -31.1 | 0 | 0 | 0 | 113 | R110 R114 Q120 | R110-P122 HydrophobicContact CB-CG 4.15Å; R110-P122 HydrophobicContact CG-CG 4.04Å; R114-P122 WeakPolarHBondContact CD-O 3.28Å; R114-P122 WeakPolarHBondContact CG-O 3.29Å; Q120-P122 CarbonylContact O-C 3.58Å; Q120-P122 VanDerWaalsContact O-C 3.22Å |
| 123 | P | 78.3 | Confident | 84.6 | Confident | 56 Ų | 56 | 68.3 Ų | 68.3 | 36% | 0.364 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 147.8 | 179.1 | 26.9 | -35.6 | 0 | 0 | 0 | 111.4 | ||
| 124 | K | 82.2 | Confident | 85.3 | Confident | 115 Ų | 115 | 65.2 Ų | 65.2 | 50% | 0.5 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -52 | 145.3 | 175.2 | -65 | -170.5 | 177.8 | 174.4 | 0 | 110.7 | ||
| 125 | P | 83.2 | Confident | 85.9 | Confident | 12 Ų | 12 | 70.1 Ų | 70.1 | 8% | 0.078 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 151.1 | 176.9 | 32.1 | -40.5 | 0 | 0 | 0 | 110.3 | E102 P103 E106 R127 | E102-P125 HydrophobicContact CB-CG 4.21Å; E102-P125 HydrophobicContact CG-CG 4.19Å; P103-P125 HydrophobicContact CG-CB 4.19Å; P103-P125 HydrophobicContact CG-CG 4.37Å; E106-P125 WeakPolarHBondContact OE2-CD 2.85Å; E106-P125 WeakPolarHBondContact OE2-CG 3.34Å; P125-R127 PolarHBondContact O-N 2.79Å |
| 126 | E | 83.7 | Confident | 86.6 | Confident | 75 Ų | 75 | 63.4 Ų | 63.4 | 35% | 0.35 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 124.2 | 172.1 | -65.5 | 180 | -166.1 | 0 | 0 | 109.2 | Y128 | E126-Y128 VanDerWaalsContact C-N 3.3Å; E126-Y128 HydrophobicContact CB-CD1 4.43Å; E126-Y128 HydrophobicContact CB-CE1 4.09Å; E126-Y128 HydrophobicContact CB-CE2 4.36Å; E126-Y128 HydrophobicContact CG-CE1 4.11Å; E126-Y128 PolarHBondContact OE1-OH 3.45Å; E126-Y128 WeakPolarHBondContact OE2-CE2 3.3Å; E126-Y128 PolarHBondContact OE2-OH 3.29Å |
| 127 | R | 88.3 | Confident | 87.2 | Confident | 85 Ų | 85 | 61.8 Ų | 61.8 | 32% | 0.321 | 30% | 0.301 | S | S | . | . | trans | -97.3 | 28.1 | 177.5 | -55.6 | -173.7 | -173 | -169 | 1.5 | 111.9 | Y98 H99 D100 E102 P125 | Y98-R127 CarbonylContact C-O 3.48Å; Y98-R127 WeakPolarHBondContact CA-O 3.21Å; H99-R127 PolarHBondContact N-O 2.86Å; D100-R127 PolarHBondContact O-NH1 3.33Å; E102-R127 VanDerWaalsContact CG-CZ 3.48Å; E102-R127 IonicContact OE1-CZ 2.91Å; E102-R127 IonicContact OE1-NE 3.99Å; E102-R127 IonicContact OE1-NH2 3.02Å; E102-R127 PolarHBondContact OE1-NH2 2.67Å; P125-R127 PolarHBondContact O-N 2.79Å | ||
| 128 | Y | 90.6 | Very high | 87.8 | Confident | 72 Ų | 72 | 64.1 Ų | 64.1 | 28% | 0.282 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 153.2 | 179.5 | 59.9 | -106.4 | 0 | 0 | 0 | 111.3 | P70 M96 V97 Y98 E126 | P70-Y128 HydrophobicContact CB-CD2 4.43Å; P70-Y128 HydrophobicContact CB-CE2 3.7Å; P70-Y128 HydrophobicContact CG-CE2 4.18Å; M96-Y128 HydrophobicContact CE-CD1 4.47Å; M96-Y128 HydrophobicContact CE-CD2 3.29Å; M96-Y128 HydrophobicContact CE-CE2 3.43Å; M96-Y128 VanDerWaalsContact CE-CE2 3.43Å; M96-Y128 HydrophobicContact CE-CG 3.88Å; M96-Y128 HydrophobicContact SD-CD2 4.35Å; V97-Y128 CarbonylContact O-C 3.22Å; V97-Y128 WeakPolarHBondContact O-CA 3.38Å; V97-Y128 WeakPolarHBondContact O-CB 3.42Å; Y98-Y128 HydrophobicContact CE1-CD1 4.05Å; Y98-Y128 HydrophobicContact CE1-CG 4.32Å; E126-Y128 VanDerWaalsContact C-N 3.3Å; E126-Y128 HydrophobicContact CB-CD1 4.43Å; E126-Y128 HydrophobicContact CB-CE1 4.09Å; E126-Y128 HydrophobicContact CB-CE2 4.36Å; E126-Y128 HydrophobicContact CG-CE1 4.11Å; E126-Y128 PolarHBondContact OE1-OH 3.45Å; E126-Y128 WeakPolarHBondContact OE2-CE2 3.3Å; E126-Y128 PolarHBondContact OE2-OH 3.29Å |
| 129 | E | 92.9 | Very high | 88.5 | Confident | 51 Ų | 51 | 62.1 Ų | 62.1 | 24% | 0.238 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 140.7 | 174 | -63.3 | -175.9 | -171.8 | 0 | 0 | 109.2 | K67 V97 H99 | K67-E129 VanDerWaalsContact CD-OE2 3.28Å; K67-E129 WeakPolarHBondContact CD-OE2 3.43Å; K67-E129 WeakPolarHBondContact CE-OE2 3.29Å; K67-E129 IonicContact NZ-OE1 2.72Å; K67-E129 PolarHBondContact NZ-OE1 3.1Å; K67-E129 IonicContact NZ-OE2 3.67Å; K67-E129 PolarHBondContact NZ-OE2 2.81Å; V97-E129 PolarHBondContact N-O 2.84Å; V97-E129 PolarHBondContact O-N 3.18Å; H99-E129 IonicContact CD2-OE1 3.94Å; H99-E129 IonicContact CE1-OE1 2.68Å; H99-E129 WeakPolarHBondContact NE2-CG 3.16Å; H99-E129 IonicContact NE2-OE1 2.6Å; H99-E129 PolarHBondContact NE2-OE1 3.31Å |
| 130 | K | 96.1 | Very high | 89.1 | Confident | 38 Ų | 38 | 62.8 Ų | 62.8 | 17% | 0.165 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 121.6 | 174.5 | -164.9 | 169.5 | -165.8 | 170.8 | 0 | 108.4 | K67 V68 P70 M72 V94 M96 | K67-K130 WeakPolarHBondContact CA-O 3.38Å; V68-K130 HydrophobicContact CG2-CB 3.79Å; V68-K130 HydrophobicContact CG2-CD 4.06Å; V68-K130 HydrophobicContact CG2-CG 3.63Å; V68-K130 WeakPolarHBondContact CG2-O 3.47Å; V68-K130 PolarHBondContact N-O 3.45Å; P70-K130 WeakPolarHBondContact O-CD 3.17Å; P70-K130 PolarHBondContact O-NZ 3.4Å; M72-K130 WeakPolarHBondContact O-CE 3.47Å; M72-K130 PolarHBondContact O-NZ 2.74Å; V94-K130 HydrophobicContact CG1-CD 3.83Å; V94-K130 HydrophobicContact CG1-CG 3.38Å; M96-K130 HydrophobicContact SD-CB 4.06Å; M96-K130 HydrophobicContact SD-CD 4.2Å; M96-K130 HydrophobicContact SD-CG 4.12Å |
| 131 | V | 97.2 | Very high | 90 | Very high | 10 Ų | 10 | 61.4 Ų | 61.4 | 6% | 0.061 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 126.4 | -177.6 | -178.5 | 0 | 0 | 0 | 0 | 108.9 | M53 V65 F66 V94 K95 V97 Y133 | M53-V131 HydrophobicContact CE-CB 4.26Å; M53-V131 HydrophobicContact CE-CG1 3.6Å; M53-V131 HydrophobicContact CE-CG2 3.78Å; V65-V131 HydrophobicContact CG1-CG1 3.53Å; F66-V131 CarbonylContact O-C 3.6Å; F66-V131 WeakPolarHBondContact O-CA 3.48Å; V94-V131 CarbonylContact C-O 3.56Å; V94-V131 WeakPolarHBondContact CA-O 3.26Å; K95-V131 PolarHBondContact N-O 2.75Å; K95-V131 PolarHBondContact O-N 3Å; V97-V131 HydrophobicContact CB-CG2 4.47Å; V97-V131 HydrophobicContact CG2-CB 4.36Å; V97-V131 HydrophobicContact CG2-CG2 3.77Å; V131-Y133 HydrophobicContact CG1-CD2 4.48Å; V131-Y133 HydrophobicContact CG1-CE2 3.92Å |
| 132 | A | 98 | Very high | 91.1 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 123.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | V65 F66 V68 V77 V92 R93 V94 | V65-A132 WeakPolarHBondContact CA-O 3.36Å; F66-A132 HydrophobicContact CB-CB 4.44Å; F66-A132 PolarHBondContact N-O 3.49Å; F66-A132 PolarHBondContact O-N 3.09Å; V68-A132 HydrophobicContact CG1-CB 3.83Å; V68-A132 HydrophobicContact CG2-CB 4.22Å; V77-A132 HydrophobicContact CG1-CB 4.15Å; V77-A132 HydrophobicContact CG2-CB 4.43Å; V92-A132 HydrophobicContact CG1-CB 4.33Å; R93-A132 CarbonylContact O-C 3.53Å; R93-A132 WeakPolarHBondContact O-CA 3.11Å; V94-A132 HydrophobicContact CG2-CB 4.2Å |
| 133 | Y | 97 | Very high | 91.8 | Very high | 91 Ų | 91 | 63.6 Ų | 63.6 | 36% | 0.357 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 115.2 | 168.1 | -59.8 | -89.1 | 0 | 0 | 0 | 107.8 | V65 V92 R93 V131 | V65-Y133 HydrophobicContact CG1-CD1 4.44Å; V65-Y133 HydrophobicContact CG1-CE1 4.26Å; V65-Y133 HydrophobicContact CG2-CD1 3.75Å; V65-Y133 HydrophobicContact CG2-CE1 3.91Å; V92-Y133 CarbonylContact C-O 3.52Å; V92-Y133 WeakPolarHBondContact CA-O 3.39Å; R93-Y133 PolarHBondContact N-O 3.26Å; R93-Y133 PolarHBondContact O-N 2.73Å; V131-Y133 HydrophobicContact CG1-CD2 4.48Å; V131-Y133 HydrophobicContact CG1-CE2 3.92Å |
| 134 | V | 97.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 127.5 | -176.3 | 177.9 | 0 | 0 | 0 | 0 | 108.3 | H63 V64 F66 V77 L81 V89 V92 L136 | H63-V134 WeakPolarHBondContact CA-O 3.31Å; V64-V134 PolarHBondContact N-O 2.93Å; V64-V134 PolarHBondContact O-N 3.38Å; F66-V134 HydrophobicContact CD2-CB 4.28Å; F66-V134 HydrophobicContact CD2-CG2 3.61Å; F66-V134 HydrophobicContact CE2-CB 4.12Å; F66-V134 HydrophobicContact CE2-CG2 3.82Å; V77-V134 HydrophobicContact CG1-CG2 4.18Å; L81-V134 HydrophobicContact CD1-CB 4.39Å; L81-V134 HydrophobicContact CD1-CG1 3.79Å; L81-V134 HydrophobicContact CD1-CG2 3.85Å; V89-V134 HydrophobicContact CB-CG1 4.37Å; V89-V134 HydrophobicContact CG1-CG1 3.64Å; V89-V134 HydrophobicContact CG2-CG1 3.79Å; V92-V134 HydrophobicContact CG1-CG2 4.23Å; V92-V134 HydrophobicContact CG2-CG1 4.38Å; V92-V134 HydrophobicContact CG2-CG2 4.16Å; V134-L136 HydrophobicContact CG1-CD2 4.42Å |
| 135 | R | 97 | Very high | 93 | Very high | 130 Ų | 130 | 61.1 Ų | 61.1 | 49% | 0.491 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 117.3 | 174.4 | -170.9 | 177.5 | -167.4 | 177.3 | 5.4 | 109 | V90 D91 | V90-R135 PolarHBondContact N-O 3.13Å; D91-R135 HydrophobicContact CB-CB 4.33Å; D91-R135 PolarHBondContact N-O 2.82Å; D91-R135 PolarHBondContact O-N 3.25Å |
| 136 | L | 96.8 | Very high | 93.4 | Very high | 11 Ų | 11 | 65 Ų | 65 | 6% | 0.058 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 166.5 | 175.4 | -58 | 178.7 | 0 | 0 | 0 | 111.4 | N62 V64 V87 V90 V134 E140 F142 | N62-L136 PolarHBondContact O-N 3.49Å; V64-L136 HydrophobicContact CG2-CD1 3.79Å; V64-L136 HydrophobicContact CG2-CD2 4.35Å; V64-L136 HydrophobicContact CG2-CG 4.06Å; V87-L136 HydrophobicContact CG1-CD2 3.59Å; V90-L136 WeakPolarHBondContact CG2-O 3.41Å; V134-L136 HydrophobicContact CG1-CD2 4.42Å; L136-E140 HydrophobicContact CB-CB 4.32Å; L136-E140 HydrophobicContact CD1-CG 4.32Å; L136-F142 HydrophobicContact CD1-CB 3.87Å |
| 137 | V | 95.9 | Very high | 93.7 | Very high | 56 Ų | 56 | 65.9 Ų | 65.9 | 34% | 0.339 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -57.6 | 142.2 | 174.7 | 174.2 | 0 | 0 | 0 | 0 | 111.1 | P88 V90 G139 E140 | P88-V137 HydrophobicContact CB-CB 4.5Å; P88-V137 HydrophobicContact CB-CG2 3.62Å; P88-V137 HydrophobicContact CG-CB 4.44Å; P88-V137 HydrophobicContact CG-CG2 4.07Å; V90-V137 VanDerWaalsContact CG2-CA 3.5Å; V90-V137 HydrophobicContact CG2-CB 4.32Å; V90-V137 HydrophobicContact CG2-CG2 3.9Å; V137-G139 PolarHBondContact O-N 3.3Å; V137-E140 PolarHBondContact O-N 3.23Å; V137-E140 VanDerWaalsContact O-N 3.09Å |
| 138 | P | 91.8 | Very high | 93.6 | Very high | 108 Ų | 108 | 68.6 Ų | 68.6 | 70% | 0.701 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | 126.7 | 175.1 | -21.5 | 33.7 | 0 | 0 | 0 | 110.5 | ||
| 139 | G | 92 | Very high | 93.3 | Very high | 75 Ų | 75 | 72.7 Ų | 72.7 | 77% | 0.773 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 109.7 | -23.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | V137 | V137-G139 PolarHBondContact O-N 3.3Š|
| 140 | E | 92.1 | Very high | 92.7 | Very high | 90 Ų | 90 | 77.9 Ų | 77.9 | 42% | 0.421 | 41% | 0.413 | S | S | . | . | trans | -92.1 | 115.6 | 177.6 | -159.8 | 143.6 | -175.7 | 0 | 0 | 110.9 | N62 P88 L136 V137 | N62-E140 VanDerWaalsContact CG-O 3.25Å; N62-E140 PolarHBondContact OD1-O 2.96Å; P88-E140 WeakPolarHBondContact CG-OE2 3.42Å; L136-E140 HydrophobicContact CB-CB 4.32Å; L136-E140 HydrophobicContact CD1-CG 4.32Å; V137-E140 PolarHBondContact O-N 3.23Å; V137-E140 VanDerWaalsContact O-N 3.09Å | ||
| 141 | V | 93.2 | Very high | 91.4 | Very high | 94 Ų | 94 | 82.4 Ų | 82.4 | 57% | 0.57 | 43% | 0.433 | S | S | * | . | trans | -103.9 | 127.1 | -179.3 | 171.9 | 0 | 0 | 0 | 0 | 108.7 | P61 V143 | P61-V141 HydrophobicContact CB-CB 4.47Å; P61-V141 HydrophobicContact CB-CG1 3.77Å; P61-V141 HydrophobicContact CB-CG2 4.28Å; V141-V143 HydrophobicContact CG1-CG2 4.3Å | ||
| 142 | F | 92.7 | Very high | 89.5 | Confident | 51 Ų | 51 | 92.3 Ų | 92.3 | 22% | 0.224 | 47% | 0.469 | C | S | . | . | trans | -111.2 | 123.4 | 175.7 | 178 | -98.8 | 0 | 0 | 0 | 110.2 | M52 P61 V64 L136 F144 | M52-F142 HydrophobicContact CE-CE2 4.07Å; M52-F142 HydrophobicContact CE-CZ 3.91Å; M52-F142 HydrophobicContact SD-CE1 4.23Å; M52-F142 HydrophobicContact SD-CE2 4.1Å; M52-F142 HydrophobicContact SD-CZ 3.41Å; M52-F142 WeakPolarHBondContact SD-CZ 3.21Å; P61-F142 PolarHBondContact O-N 3.16Å; V64-F142 HydrophobicContact CB-CD1 4.39Å; V64-F142 HydrophobicContact CG1-CD1 4.22Å; V64-F142 HydrophobicContact CG1-CE1 4.05Å; V64-F142 HydrophobicContact CG1-CZ 4.47Å; V64-F142 HydrophobicContact CG2-CB 3.89Å; V64-F142 HydrophobicContact CG2-CD1 3.64Å; V64-F142 HydrophobicContact CG2-CD2 4.35Å; V64-F142 HydrophobicContact CG2-CE1 4.3Å; V64-F142 HydrophobicContact CG2-CG 3.67Å; L136-F142 HydrophobicContact CD1-CB 3.87Å; F142-F144 HydrophobicContact CE1-CB 4.22Å; F142-F144 HydrophobicContact CE1-CD2 4.31Å; F142-F144 HydrophobicContact CZ-CD2 4.31Å | ||
| 143 | V | 92.4 | Very high | 87.6 | Confident | 116 Ų | 116 | 95.3 Ų | 95.3 | 70% | 0.703 | 49% | 0.489 | S | S | * | . | trans | -113.9 | 126.5 | 170.1 | -179.3 | 0 | 0 | 0 | 0 | 107.5 | V141 P145 | V141-V143 HydrophobicContact CG1-CG2 4.3Å; V143-P145 WeakPolarHBondContact O-CD 2.98Å | ||
| 144 | F | 93.4 | Very high | 85.9 | Confident | 52 Ų | 52 | 94.6 Ų | 94.6 | 23% | 0.228 | 50% | 0.497 | C | S | . | . | trans | -63.8 | 121.8 | 178.7 | -171 | -92.4 | 0 | 0 | 0 | 109.4 | M52 Y54 P55 F142 L147 | M52-F144 HydrophobicContact CG-CD2 4.4Å; M52-F144 HydrophobicContact CG-CE2 4.08Å; M52-F144 HydrophobicContact SD-CD2 4.21Å; M52-F144 HydrophobicContact SD-CE2 4.13Å; Y54-F144 HydrophobicContact CD2-CB 4.03Å; Y54-F144 AromaticContact CD2-CD1 3.75Å; Y54-F144 HydrophobicContact CD2-CD1 3.75Å; Y54-F144 HydrophobicContact CD2-CE1 4.39Å; Y54-F144 AromaticContact CD2-CG 3.89Å; Y54-F144 HydrophobicContact CD2-CG 3.89Å; Y54-F144 HydrophobicContact CE2-CB 4.4Å; P55-F144 HydrophobicContact CG-CB 4.46Å; F142-F144 HydrophobicContact CE1-CB 4.22Å; F142-F144 HydrophobicContact CE1-CD2 4.31Å; F142-F144 HydrophobicContact CZ-CD2 4.31Å; F144-L147 HydrophobicContact CE1-CD1 4.24Å; F144-L147 HydrophobicContact CE1-CG 4.3Å; F144-L147 HydrophobicContact CZ-CD1 4.02Å; F144-L147 HydrophobicContact CZ-CG 4.45Å | ||
| 145 | P | 92.3 | Very high | 84.2 | Confident | 67 Ų | 67 | 100.2 Ų | 100.2 | 44% | 0.435 | 53% | 0.527 | S | S | . | . | trans | -69.5 | 143.8 | -177.9 | 28.7 | -34.2 | 0 | 0 | 0 | 110.2 | V143 L147 | V143-P145 WeakPolarHBondContact O-CD 2.98Å; P145-L147 HydrophobicContact CG-CD2 4.17Å; P145-L147 PolarHBondContact O-N 2.9Å | ||
| 146 | D | 91.2 | Very high | 82.6 | Confident | 93 Ų | 93 | 96.9 Ų | 96.9 | 50% | 0.497 | 53% | 0.528 | S | S | . | . | trans | -75.6 | 108.2 | 169.2 | -179.3 | 4.1 | 0 | 0 | 0 | 109.3 | F148 K149 | D146-F148 PolarHBondContact O-N 3.33Å; D146-F148 PolarHBondContact OD1-N 3.43Å; D146-F148 VanDerWaalsContact OD1-N 3.14Å; D146-K149 HydrophobicContact CB-CD 4.07Å; D146-K149 HydrophobicContact CB-CG 3.76Å; D146-K149 WeakPolarHBondContact OD2-CG 3.17Å | ||
| 147 | L | 89.2 | Confident | 81.1 | Confident | 94 Ų | 94 | 99.5 Ų | 99.5 | 49% | 0.492 | 54% | 0.544 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -7 | -173.7 | -59.7 | 176.2 | 0 | 0 | 0 | 113.5 | F144 P145 K151 | F144-L147 HydrophobicContact CE1-CD1 4.24Å; F144-L147 HydrophobicContact CE1-CG 4.3Å; F144-L147 HydrophobicContact CZ-CD1 4.02Å; F144-L147 HydrophobicContact CZ-CG 4.45Å; P145-L147 HydrophobicContact CG-CD2 4.17Å; P145-L147 PolarHBondContact O-N 2.9Å; L147-K151 WeakPolarHBondContact O-CD 3.03Å; L147-K151 VanDerWaalsContact O-CE 3.28Å; L147-K151 WeakPolarHBondContact O-CE 3.36Å; L147-K151 PolarHBondContact O-NZ 3.28Å |
| 148 | F | 87 | Confident | 79.5 | Confident | 142 Ų | 142 | 100.3 Ų | 100.3 | 62% | 0.623 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.8 | 6.5 | -169.8 | -57.8 | -78.2 | 0 | 0 | 0 | 114.3 | D146 D150 K151 | D146-F148 PolarHBondContact O-N 3.33Å; D146-F148 PolarHBondContact OD1-N 3.43Å; D146-F148 VanDerWaalsContact OD1-N 3.14Å; F148-D150 VanDerWaalsContact C-N 3.29Å; F148-D150 PolarHBondContact O-N 3.11Å; F148-K151 HydrophobicContact CD1-CD 3.81Å; F148-K151 HydrophobicContact CE1-CD 4.27Å; F148-K151 PolarHBondContact O-N 3.12Å |
| 149 | K | 84.8 | Confident | 78.1 | Confident | 157 Ų | 157 | 101.1 Ų | 101.1 | 68% | 0.683 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.8 | -45.7 | 178.8 | -69.9 | 179.2 | 164.2 | 175.3 | 0 | 113.8 | D146 | D146-K149 HydrophobicContact CB-CD 4.07Å; D146-K149 HydrophobicContact CB-CG 3.76Å; D146-K149 WeakPolarHBondContact OD2-CG 3.17Å |
| 150 | D | 79.8 | Confident | 76.7 | Confident | 160 Ų | 160 | 104 Ų | 104 | 86% | 0.856 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.6 | 0.2 | -172.1 | -50.8 | -40.8 | 0 | 0 | 0 | 112.9 | F148 R152 | F148-D150 VanDerWaalsContact C-N 3.29Å; F148-D150 PolarHBondContact O-N 3.11Å; D150-R152 PolarHBondContact O-N 3.17Å |
| 151 | K | 69.2 | Low | 75.3 | Confident | 133 Ų | 133 | 103.6 Ų | 103.6 | 58% | 0.578 | 54% | 0.541 | S | S | * | . | trans | -82.6 | 115.1 | -178 | -70.3 | -176.8 | -176.8 | 172.4 | 0 | 108.8 | L147 F148 | L147-K151 WeakPolarHBondContact O-CD 3.03Å; L147-K151 VanDerWaalsContact O-CE 3.28Å; L147-K151 WeakPolarHBondContact O-CE 3.36Å; L147-K151 PolarHBondContact O-NZ 3.28Å; F148-K151 HydrophobicContact CD1-CD 3.81Å; F148-K151 HydrophobicContact CE1-CD 4.27Å; F148-K151 PolarHBondContact O-N 3.12Å | ||
| 152 | R | 57.4 | Low | 73.6 | Confident | 218 Ų | 218 | 102.5 Ų | 102.5 | 82% | 0.823 | 55% | 0.549 | S | S | * | . | P | Polyproline II helix | trans | -51 | 130.4 | 164.4 | -72 | -170.6 | -89.6 | 178.3 | -5.3 | 108.2 | D150 S154 | D150-R152 PolarHBondContact O-N 3.17Å; R152-S154 PolarHBondContact O-N 3.34Å; R152-S154 VanDerWaalsContact O-N 3.13Å |
| 153 | P | 56.9 | Low | 71.5 | Confident | 63 Ų | 63 | 102.4 Ų | 102.4 | 41% | 0.409 | 56% | 0.563 | S | S | . | * | P | Polyproline II helix | trans | -51.9 | 127.9 | 169.5 | -16.2 | 28.7 | 0 | 0 | 0 | 106 | D155 D158 | P153-D155 PolarHBondContact O-N 2.9Å; P153-D155 VanDerWaalsContact O-N 3.14Å; P153-D158 VanDerWaalsContact CB-CG 3.43Å; P153-D158 VanDerWaalsContact CB-OD1 3.26Å; P153-D158 WeakPolarHBondContact CB-OD1 3.35Å; P153-D158 WeakPolarHBondContact CB-OD2 3.39Å; P153-D158 VanDerWaalsContact CD-OD2 3.29Å; P153-D158 WeakPolarHBondContact CD-OD2 3.37Å; P153-D158 VanDerWaalsContact CG-OD1 3.26Å; P153-D158 WeakPolarHBondContact CG-OD1 3.49Å; P153-D158 WeakPolarHBondContact CG-OD2 3.28Å |
| 154 | S | 61.9 | Low | 69.4 | Low | 77 Ų | 77 | 100.3 Ų | 100.3 | 54% | 0.538 | 55% | 0.547 | S | S | . | . | P | Polyproline II helix | trans | -46.8 | 129.7 | 176.1 | 46 | 0 | 0 | 0 | 0 | 107.7 | R152 A156 V157 | R152-S154 PolarHBondContact O-N 3.34Å; R152-S154 VanDerWaalsContact O-N 3.13Å; S154-A156 CarbonylContact O-C 3.53Å; S154-A156 PolarHBondContact O-N 3.42Å; S154-V157 PolarHBondContact O-N 3.04Å; S154-V157 WeakPolarHBondContact OG-CG2 3.08Å |
| 155 | D | 60.8 | Low | 67.5 | Low | 117 Ų | 117 | 100.1 Ų | 100.1 | 63% | 0.626 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -45.2 | -30 | -169.9 | -59.5 | -48.4 | 0 | 0 | 0 | 112.5 | P153 V157 D158 I159 | P153-D155 PolarHBondContact O-N 2.9Å; P153-D155 VanDerWaalsContact O-N 3.14Å; D155-V157 PolarHBondContact O-N 3.28Å; D155-D158 PolarHBondContact O-N 3.38Å; D155-I159 HydrophobicContact CB-CD1 4.11Å; D155-I159 WeakPolarHBondContact O-CB 3.18Å; D155-I159 WeakPolarHBondContact O-CD1 3.25Å; D155-I159 WeakPolarHBondContact O-CG1 3.38Å; D155-I159 PolarHBondContact O-N 2.72Å |
| 156 | A | 64.9 | Low | 65.7 | Low | 61 Ų | 61 | 100.2 Ų | 100.2 | 50% | 0.504 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -54.8 | -42 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | S154 L160 | S154-A156 CarbonylContact O-C 3.53Å; S154-A156 PolarHBondContact O-N 3.42Å; A156-L160 WeakPolarHBondContact O-CB 3.31Å; A156-L160 WeakPolarHBondContact O-CD1 3.48Å; A156-L160 WeakPolarHBondContact O-CG 3.18Å; A156-L160 PolarHBondContact O-N 2.8Å |
| 157 | V | 64.7 | Low | 63.9 | Low | 66 Ų | 66 | 102 Ų | 102 | 40% | 0.4 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -79.3 | -33.8 | -177.9 | -163.9 | 0 | 0 | 0 | 0 | 110.7 | S154 D155 L160 N161 | S154-V157 PolarHBondContact O-N 3.04Å; S154-V157 WeakPolarHBondContact OG-CG2 3.08Å; D155-V157 PolarHBondContact O-N 3.28Å; V157-L160 PolarHBondContact O-N 2.91Å; V157-N161 WeakPolarHBondContact O-CB 3.38Å; V157-N161 VanDerWaalsContact O-CG 3.24Å; V157-N161 PolarHBondContact O-N 2.81Å; V157-N161 PolarHBondContact O-ND2 2.95Å |
| 158 | D | 62.2 | Low | 62.2 | Low | 73 Ų | 73 | 99.8 Ų | 99.8 | 39% | 0.39 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -78.2 | -23.4 | 172.7 | -77.3 | -12.7 | 0 | 0 | 0 | 113.1 | P153 D155 G162 | P153-D158 VanDerWaalsContact CB-CG 3.43Å; P153-D158 VanDerWaalsContact CB-OD1 3.26Å; P153-D158 WeakPolarHBondContact CB-OD1 3.35Å; P153-D158 WeakPolarHBondContact CB-OD2 3.39Å; P153-D158 VanDerWaalsContact CD-OD2 3.29Å; P153-D158 WeakPolarHBondContact CD-OD2 3.37Å; P153-D158 VanDerWaalsContact CG-OD1 3.26Å; P153-D158 WeakPolarHBondContact CG-OD1 3.49Å; P153-D158 WeakPolarHBondContact CG-OD2 3.28Å; D155-D158 PolarHBondContact O-N 3.38Å; D158-G162 WeakPolarHBondContact O-CA 3.36Å; D158-G162 PolarHBondContact O-N 3.47Å |
| 159 | I | 63.1 | Low | 60.8 | Low | 125 Ų | 125 | 100.1 Ų | 100.1 | 64% | 0.641 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -73.1 | -39.5 | 168.2 | -71.2 | 162.1 | 0 | 0 | 0 | 109.7 | D155 G163 | D155-I159 HydrophobicContact CB-CD1 4.11Å; D155-I159 WeakPolarHBondContact O-CB 3.18Å; D155-I159 WeakPolarHBondContact O-CD1 3.25Å; D155-I159 WeakPolarHBondContact O-CG1 3.38Å; D155-I159 PolarHBondContact O-N 2.72Å; I159-G163 PolarHBondContact O-N 3.47Å |
| 160 | L | 62.6 | Low | 59.5 | Low | 136 Ų | 136 | 98.3 Ų | 98.3 | 71% | 0.712 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -70.1 | -38.5 | 174.9 | -71.6 | 169.7 | 0 | 0 | 0 | 112.5 | A156 V157 | A156-L160 WeakPolarHBondContact O-CB 3.31Å; A156-L160 WeakPolarHBondContact O-CD1 3.48Å; A156-L160 WeakPolarHBondContact O-CG 3.18Å; A156-L160 PolarHBondContact O-N 2.8Å; V157-L160 PolarHBondContact O-N 2.91Å |
| 161 | N | 62.1 | Low | 58.6 | Low | 80 Ų | 80 | 93.1 Ų | 93.1 | 43% | 0.428 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -85.2 | -36.3 | 178.2 | -72.1 | -20.2 | 0 | 0 | 0 | 112.8 | V157 G163 D164 A165 | V157-N161 WeakPolarHBondContact O-CB 3.38Å; V157-N161 VanDerWaalsContact O-CG 3.24Å; V157-N161 PolarHBondContact O-N 2.81Å; V157-N161 PolarHBondContact O-ND2 2.95Å; N161-G163 VanDerWaalsContact C-N 3.25Å; N161-G163 PolarHBondContact O-N 3.1Å; N161-D164 PolarHBondContact O-N 3.4Å; N161-A165 WeakPolarHBondContact O-CA 3.13Å; N161-A165 WeakPolarHBondContact O-CB 3.21Å; N161-A165 PolarHBondContact O-N 3.4Å |
| 162 | G | 56.9 | Low | 58.2 | Low | 71 Ų | 71 | 92.5 Ų | 92.5 | 73% | 0.732 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -73.9 | -14.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114 | D158 | D158-G162 WeakPolarHBondContact O-CA 3.36Å; D158-G162 PolarHBondContact O-N 3.47Å |
| 163 | G | 49.3 | Very low | 58.5 | Low | 50 Ų | 50 | 84.1 Ų | 84.1 | 52% | 0.515 | 51% | 0.511 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -34.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | I159 N161 | I159-G163 PolarHBondContact O-N 3.47Å; N161-G163 VanDerWaalsContact C-N 3.25Å; N161-G163 PolarHBondContact O-N 3.1Å |
| 164 | D | 48 | Very low | 58.9 | Low | 72 Ų | 72 | 85.1 Ų | 85.1 | 39% | 0.385 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -164 | 32.7 | -163.5 | -82.5 | -43.6 | 0 | 0 | 0 | 113.8 | N161 A166 K167 S168 | N161-D164 PolarHBondContact O-N 3.4Å; D164-A166 VanDerWaalsContact C-N 3.25Å; D164-A166 PolarHBondContact O-N 2.86Å; D164-K167 HydrophobicContact CB-CB 3.99Å; D164-K167 CarbonylContact O-C 3.42Å; D164-K167 PolarHBondContact O-N 3.2Å; D164-K167 WeakPolarHBondContact OD1-CB 3.2Å; D164-K167 WeakPolarHBondContact OD1-CD 3.32Å; D164-K167 WeakPolarHBondContact OD1-CE 3.47Å; D164-K167 VanDerWaalsContact OD1-CG 3.25Å; D164-K167 WeakPolarHBondContact OD1-CG 3.47Å; D164-K167 IonicContact OD1-NZ 2.9Å; D164-K167 PolarHBondContact OD1-NZ 2.98Å; D164-S168 VanDerWaalsContact O-CB 3.28Å; D164-S168 WeakPolarHBondContact O-CB 3.2Å; D164-S168 PolarHBondContact O-N 2.93Å; D164-S168 PolarHBondContact O-OG 3.18Å |
| 165 | A | 53.8 | Low | 58.9 | Low | 48 Ų | 48 | 86.2 Ų | 86.2 | 40% | 0.397 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.8 | -34.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | N161 S168 Q169 | N161-A165 WeakPolarHBondContact O-CA 3.13Å; N161-A165 WeakPolarHBondContact O-CB 3.21Å; N161-A165 PolarHBondContact O-N 3.4Å; A165-S168 WeakPolarHBondContact CA-OG 3.09Å; A165-S168 PolarHBondContact O-OG 2.89Å; A165-Q169 WeakPolarHBondContact O-CG 3.48Å; A165-Q169 PolarHBondContact O-N 3.15Å |
| 166 | A | 53.2 | Low | 59.1 | Low | 69 Ų | 69 | 83.7 Ų | 83.7 | 57% | 0.57 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -70.3 | -43.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | D164 E170 | D164-A166 VanDerWaalsContact C-N 3.25Å; D164-A166 PolarHBondContact O-N 2.86Å; A166-E170 WeakPolarHBondContact O-CB 3.26Å; A166-E170 WeakPolarHBondContact O-CG 3.45Å; A166-E170 PolarHBondContact O-N 3.39Å |
| 167 | K | 53.2 | Low | 59.2 | Low | 130 Ų | 130 | 85.8 Ų | 85.8 | 57% | 0.565 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -73.7 | -26.8 | 179.4 | -62.2 | -156.1 | -158.5 | 106.1 | 0 | 113.9 | D164 A171 | D164-K167 HydrophobicContact CB-CB 3.99Å; D164-K167 CarbonylContact O-C 3.42Å; D164-K167 PolarHBondContact O-N 3.2Å; D164-K167 WeakPolarHBondContact OD1-CB 3.2Å; D164-K167 WeakPolarHBondContact OD1-CD 3.32Å; D164-K167 WeakPolarHBondContact OD1-CE 3.47Å; D164-K167 VanDerWaalsContact OD1-CG 3.25Å; D164-K167 WeakPolarHBondContact OD1-CG 3.47Å; D164-K167 IonicContact OD1-NZ 2.9Å; D164-K167 PolarHBondContact OD1-NZ 2.98Å; K167-A171 WeakPolarHBondContact O-CA 3.3Å; K167-A171 WeakPolarHBondContact O-CB 3.45Å; K167-A171 PolarHBondContact O-N 3.4Å |
| 168 | S | 54.1 | Low | 58.9 | Low | 48 Ų | 48 | 90.7 Ų | 90.7 | 34% | 0.336 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -79.8 | -36.1 | 177.8 | 52.1 | 0 | 0 | 0 | 0 | 111.4 | D164 A165 I172 | D164-S168 VanDerWaalsContact O-CB 3.28Å; D164-S168 WeakPolarHBondContact O-CB 3.2Å; D164-S168 PolarHBondContact O-N 2.93Å; D164-S168 PolarHBondContact O-OG 3.18Å; A165-S168 WeakPolarHBondContact CA-OG 3.09Å; A165-S168 PolarHBondContact O-OG 2.89Å; S168-I172 VanDerWaalsContact O-CB 3.26Å; S168-I172 WeakPolarHBondContact O-CB 3.44Å; S168-I172 VanDerWaalsContact O-CD1 3.28Å; S168-I172 WeakPolarHBondContact O-CD1 2.97Å; S168-I172 WeakPolarHBondContact O-CG1 3.42Å; S168-I172 PolarHBondContact O-N 3.39Å |
| 169 | Q | 58.5 | Low | 59 | Low | 149 Ų | 149 | 92 Ų | 92 | 70% | 0.696 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -67.8 | -40.9 | 168.8 | -73 | -172.5 | -18.4 | 0 | 0 | 111.9 | A165 S173 | A165-Q169 WeakPolarHBondContact O-CG 3.48Å; A165-Q169 PolarHBondContact O-N 3.15Å; Q169-S173 VanDerWaalsContact O-CB 3.3Å; Q169-S173 WeakPolarHBondContact O-CB 3.46Å; Q169-S173 PolarHBondContact O-N 3.07Å; Q169-S173 PolarHBondContact O-OG 2.93Å |
| 170 | E | 57.4 | Low | 58.9 | Low | 118 Ų | 118 | 92.1 Ų | 92.1 | 55% | 0.551 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.6 | -45.4 | 172.6 | -75.6 | 176.9 | 168.6 | 0 | 0 | 111.5 | A166 I172 S173 D174 | A166-E170 WeakPolarHBondContact O-CB 3.26Å; A166-E170 WeakPolarHBondContact O-CG 3.45Å; A166-E170 PolarHBondContact O-N 3.39Å; E170-I172 PolarHBondContact O-N 3.11Å; E170-S173 CarbonylContact O-C 3.5Å; E170-S173 PolarHBondContact O-N 3.22Å; E170-S173 VanDerWaalsContact O-N 3.16Å; E170-S173 PolarHBondContact O-OG 3.07Å; E170-D174 WeakPolarHBondContact O-CB 3.27Å; E170-D174 VanDerWaalsContact O-CG 3.28Å; E170-D174 PolarHBondContact O-N 3.05Å |
| 171 | A | 59.7 | Low | 58.9 | Low | 51 Ų | 51 | 92 Ų | 92 | 42% | 0.421 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66 | -37.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | K167 S173 D174 D175 | K167-A171 WeakPolarHBondContact O-CA 3.3Å; K167-A171 WeakPolarHBondContact O-CB 3.45Å; K167-A171 PolarHBondContact O-N 3.4Å; A171-S173 VanDerWaalsContact C-N 3.33Å; A171-D174 PolarHBondContact O-N 3.48Å; A171-D175 VanDerWaalsContact O-CB 3.31Å; A171-D175 WeakPolarHBondContact O-CB 3.13Å; A171-D175 PolarHBondContact O-N 2.86Å |
| 172 | I | 61.4 | Low | 58.9 | Low | 120 Ų | 120 | 94.1 Ų | 94.1 | 62% | 0.615 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -66.8 | -38.5 | 172.9 | -69.2 | 162.5 | 0 | 0 | 0 | 109.9 | S168 E170 S176 | S168-I172 VanDerWaalsContact O-CB 3.26Å; S168-I172 WeakPolarHBondContact O-CB 3.44Å; S168-I172 VanDerWaalsContact O-CD1 3.28Å; S168-I172 WeakPolarHBondContact O-CD1 2.97Å; S168-I172 WeakPolarHBondContact O-CG1 3.42Å; S168-I172 PolarHBondContact O-N 3.39Å; E170-I172 PolarHBondContact O-N 3.11Å; I172-S176 WeakPolarHBondContact O-CB 3.27Å; I172-S176 PolarHBondContact O-N 2.73Å; I172-S176 PolarHBondContact O-OG 3.33Å |
| 173 | S | 64.4 | Low | 59 | Low | 43 Ų | 43 | 98 Ų | 98 | 30% | 0.301 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -69.3 | -33.5 | 175.8 | 83.3 | 0 | 0 | 0 | 0 | 112.8 | Q169 E170 A171 S176 K177 | Q169-S173 VanDerWaalsContact O-CB 3.3Å; Q169-S173 WeakPolarHBondContact O-CB 3.46Å; Q169-S173 PolarHBondContact O-N 3.07Å; Q169-S173 PolarHBondContact O-OG 2.93Å; E170-S173 CarbonylContact O-C 3.5Å; E170-S173 PolarHBondContact O-N 3.22Å; E170-S173 VanDerWaalsContact O-N 3.16Å; E170-S173 PolarHBondContact O-OG 3.07Å; A171-S173 VanDerWaalsContact C-N 3.33Å; S173-S176 VanDerWaalsContact CA-OG 3.28Å; S173-S176 WeakPolarHBondContact CA-OG 3.48Å; S173-S176 PolarHBondContact O-OG 3.45Å; S173-K177 VanDerWaalsContact O-CG 3.23Å; S173-K177 WeakPolarHBondContact O-CG 3.07Å; S173-K177 PolarHBondContact O-N 3.43Å; S173-K177 VanDerWaalsContact O-N 3.1Å |
| 174 | D | 64.6 | Low | 59.4 | Low | 84 Ų | 84 | 103.4 Ų | 103.4 | 45% | 0.449 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -83 | -35.1 | -179.7 | -73.2 | -18.1 | 0 | 0 | 0 | 111.6 | E170 A171 K177 R178 | E170-D174 WeakPolarHBondContact O-CB 3.27Å; E170-D174 VanDerWaalsContact O-CG 3.28Å; E170-D174 PolarHBondContact O-N 3.05Å; A171-D174 PolarHBondContact O-N 3.48Å; D174-K177 PolarHBondContact O-N 3.11Å; D174-K177 IonicContact OD1-NZ 2.91Å; D174-K177 PolarHBondContact OD1-NZ 2.82Å; D174-R178 VanDerWaalsContact O-CB 3.24Å; D174-R178 WeakPolarHBondContact O-CB 3.46Å; D174-R178 PolarHBondContact O-N 3.29Å |
| 175 | D | 62.6 | Low | 60 | Low | 100 Ų | 100 | 108.5 Ų | 108.5 | 54% | 0.535 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65.7 | -38.8 | 168.9 | -98.6 | -12.3 | 0 | 0 | 0 | 111.4 | A171 R178 V179 | A171-D175 VanDerWaalsContact O-CB 3.31Å; A171-D175 WeakPolarHBondContact O-CB 3.13Å; A171-D175 PolarHBondContact O-N 2.86Å; D175-R178 PolarHBondContact O-N 2.99Å; D175-V179 WeakPolarHBondContact O-CB 2.95Å; D175-V179 VanDerWaalsContact O-CG2 3.22Å; D175-V179 WeakPolarHBondContact O-CG2 3.24Å; D175-V179 PolarHBondContact O-N 3.39Å |
| 176 | S | 63.6 | Low | 60.3 | Low | 64 Ų | 64 | 110.4 Ų | 110.4 | 45% | 0.448 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -65.3 | -40 | 174.3 | 40.5 | 0 | 0 | 0 | 0 | 112.2 | I172 S173 E180 | I172-S176 WeakPolarHBondContact O-CB 3.27Å; I172-S176 PolarHBondContact O-N 2.73Å; I172-S176 PolarHBondContact O-OG 3.33Å; S173-S176 VanDerWaalsContact CA-OG 3.28Å; S173-S176 WeakPolarHBondContact CA-OG 3.48Å; S173-S176 PolarHBondContact O-OG 3.45Å; S176-E180 WeakPolarHBondContact O-CG 3.35Å; S176-E180 PolarHBondContact O-N 2.91Å |
| 177 | K | 66.8 | Low | 60.5 | Low | 105 Ų | 105 | 114.5 Ų | 114.5 | 46% | 0.457 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -64.4 | -36.6 | 169.8 | -69.4 | 168 | -157.3 | 154.5 | 0 | 112.7 | S173 D174 E180 N181 | S173-K177 VanDerWaalsContact O-CG 3.23Å; S173-K177 WeakPolarHBondContact O-CG 3.07Å; S173-K177 PolarHBondContact O-N 3.43Å; S173-K177 VanDerWaalsContact O-N 3.1Å; D174-K177 PolarHBondContact O-N 3.11Å; D174-K177 IonicContact OD1-NZ 2.91Å; D174-K177 PolarHBondContact OD1-NZ 2.82Å; K177-E180 PolarHBondContact O-N 3.42Å; K177-N181 WeakPolarHBondContact O-CB 3.18Å; K177-N181 PolarHBondContact O-N 2.93Å; K177-N181 PolarHBondContact O-ND2 3.3Å; K177-N181 VanDerWaalsContact O-ND2 3.14Å |
| 178 | R | 60.2 | Low | 61.1 | Low | 169 Ų | 169 | 119 Ų | 119 | 64% | 0.638 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -72.4 | -36.2 | -179.7 | -151.3 | 174.5 | -166.8 | 165.5 | 3.5 | 111.9 | D174 D175 N181 N182 | D174-R178 VanDerWaalsContact O-CB 3.24Å; D174-R178 WeakPolarHBondContact O-CB 3.46Å; D174-R178 PolarHBondContact O-N 3.29Å; D175-R178 PolarHBondContact O-N 2.99Å; R178-N181 PolarHBondContact O-N 3.07Å; R178-N182 VanDerWaalsContact O-CB 3.27Å; R178-N182 WeakPolarHBondContact O-CB 3.34Å; R178-N182 PolarHBondContact O-N 3.4Å |
| 179 | V | 62.5 | Low | 61.8 | Low | 99 Ų | 99 | 120.8 Ų | 120.8 | 60% | 0.6 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -67.6 | -37.7 | 171.2 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | D175 N182 K183 | D175-V179 WeakPolarHBondContact O-CB 2.95Å; D175-V179 VanDerWaalsContact O-CG2 3.22Å; D175-V179 WeakPolarHBondContact O-CG2 3.24Å; D175-V179 PolarHBondContact O-N 3.39Å; V179-N182 PolarHBondContact O-N 2.91Å; V179-K183 PolarHBondContact O-N 3.24Å |
| 180 | E | 62.6 | Low | 61.9 | Low | 128 Ų | 128 | 117.2 Ų | 117.2 | 60% | 0.598 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -63.8 | -41 | 171.3 | -79.9 | -174.8 | 155.8 | 0 | 0 | 112.5 | S176 K177 K183 | S176-E180 WeakPolarHBondContact O-CG 3.35Å; S176-E180 PolarHBondContact O-N 2.91Å; K177-E180 PolarHBondContact O-N 3.42Å; E180-K183 PolarHBondContact O-N 3.05Å |
| 181 | N | 62.5 | Low | 62.3 | Low | 133 Ų | 133 | 115 Ų | 115 | 71% | 0.711 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -73.6 | -25 | 177.5 | -70.1 | -29.8 | 0 | 0 | 0 | 113.6 | K177 R178 K183 | K177-N181 WeakPolarHBondContact O-CB 3.18Å; K177-N181 PolarHBondContact O-N 2.93Å; K177-N181 PolarHBondContact O-ND2 3.3Å; K177-N181 VanDerWaalsContact O-ND2 3.14Å; R178-N181 PolarHBondContact O-N 3.07Å; N181-K183 VanDerWaalsContact C-N 3.33Å |
| 182 | N | 60.8 | Low | 62.5 | Low | 125 Ų | 125 | 121.5 Ų | 121.5 | 67% | 0.668 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | 5.7 | 175.5 | -80.6 | -19.5 | 0 | 0 | 0 | 113.7 | R178 V179 L184 | R178-N182 VanDerWaalsContact O-CB 3.27Å; R178-N182 WeakPolarHBondContact O-CB 3.34Å; R178-N182 PolarHBondContact O-N 3.4Å; V179-N182 PolarHBondContact O-N 2.91Å; N182-L184 PolarHBondContact O-N 2.98Å |
| 183 | K | 59.7 | Low | 62.8 | Low | 152 Ų | 152 | 126.5 Ų | 126.5 | 66% | 0.661 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -59.5 | 112 | 162.6 | -80.1 | 176.6 | 178.4 | 170.3 | 0 | 107.8 | V179 E180 N181 Q185 | V179-K183 PolarHBondContact O-N 3.24Å; E180-K183 PolarHBondContact O-N 3.05Å; N181-K183 VanDerWaalsContact C-N 3.33Å; K183-Q185 PolarHBondContact O-N 3.4Å |
| 184 | L | 58 | Low | 62.8 | Low | 164 Ų | 164 | 132 Ų | 132 | 86% | 0.859 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -47.4 | 124.7 | 176.4 | -70.2 | 165.5 | 0 | 0 | 0 | 108.5 | N182 | N182-L184 PolarHBondContact O-N 2.98Š|
| 185 | Q | 60.9 | Low | 62.6 | Low | 179 Ų | 179 | 130.8 Ų | 130.8 | 84% | 0.836 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 129.3 | 173.9 | -68.5 | -172.4 | -5 | 0 | 0 | 107.7 | K183 L187 | K183-Q185 PolarHBondContact O-N 3.4Å; Q185-L187 PolarHBondContact O-N 3.39Å |
| 186 | P | 59.4 | Low | 62.4 | Low | 89 Ų | 89 | 134.2 Ų | 134.2 | 58% | 0.578 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 131.8 | 179 | 22.3 | -31.3 | 0 | 0 | 0 | 108.6 | K188 A195 | P186-K188 PolarHBondContact O-N 2.94Å; P186-K188 VanDerWaalsContact O-N 3.16Å; P186-A195 HydrophobicContact CB-CB 4.19Å |
| 187 | L | 58.4 | Low | 62.3 | Low | 155 Ų | 155 | 137.8 Ų | 137.8 | 81% | 0.812 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -50.2 | 124.3 | 176.8 | -72.4 | 165.8 | 0 | 0 | 0 | 108.8 | Q185 G189 C190 | Q185-L187 PolarHBondContact O-N 3.39Å; L187-G189 PolarHBondContact O-N 2.62Å; L187-C190 PolarHBondContact O-N 2.7Å; L187-C190 VanDerWaalsContact O-N 3.15Å |
| 188 | K | 65 | Low | 62.1 | Low | 223 Ų | 223 | 139.5 Ų | 139.5 | 97% | 0.97 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.3 | 112.7 | -177.1 | -80.5 | -177.9 | 176.4 | 176.9 | 0 | 109.5 | P186 | P186-K188 PolarHBondContact O-N 2.94Å; P186-K188 VanDerWaalsContact O-N 3.16Å |
| 189 | G | 68.7 | Low | 62.2 | Low | 87 Ų | 87 | 137.8 Ų | 137.8 | 90% | 0.897 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 116.8 | -6.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | L187 | L187-G189 PolarHBondContact O-N 2.62Š|
| 190 | C | 61.3 | Low | 62.2 | Low | 74 Ų | 74 | 140.1 Ų | 140.1 | 50% | 0.5 | 74% | 0.743 | S | S | . | * | trans | -94 | 138.9 | 178.3 | -153.3 | 0 | 0 | 0 | 0 | 112.8 | L187 | L187-C190 PolarHBondContact O-N 2.7Å; L187-C190 VanDerWaalsContact O-N 3.15Å | ||
| 191 | S | 64.8 | Low | 62.1 | Low | 70 Ų | 70 | 140.9 Ų | 140.9 | 49% | 0.49 | 75% | 0.752 | S | S | . | * | trans | -69.9 | 149.8 | 179.9 | 75.5 | 0 | 0 | 0 | 0 | 112.4 | W193 F194 | S191-W193 PolarHBondContact O-N 3.39Å; S191-F194 PolarHBondContact O-N 2.7Å; S191-F194 VanDerWaalsContact O-N 3.1Å | ||
| 192 | K | 63.9 | Low | 62.1 | Low | 189 Ų | 189 | 141.4 Ų | 141.4 | 82% | 0.822 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -59.3 | -21.5 | -173.3 | -159.6 | 170.9 | -176.1 | 172.8 | 0 | 114.5 | F194 | K192-F194 VanDerWaalsContact C-N 3.34Š|
| 193 | W | 68.8 | Low | 62.2 | Low | 225 Ų | 225 | 142.6 Ų | 142.6 | 85% | 0.852 | 76% | 0.761 | S | S | * | * | G | 310 helix | trans | -67.1 | -30 | 177.3 | -175.2 | -88.5 | 0 | 0 | 0 | 113.6 | S191 | S191-W193 PolarHBondContact O-N 3.39Š|
| 194 | F | 62.7 | Low | 62.4 | Low | 158 Ų | 158 | 141.8 Ų | 141.8 | 69% | 0.693 | 77% | 0.769 | S | S | * | * | G | 310 helix | trans | -97.1 | 2.6 | -177.4 | -72.7 | -79.7 | 0 | 0 | 0 | 113.9 | S191 K192 | S191-F194 PolarHBondContact O-N 2.7Å; S191-F194 VanDerWaalsContact O-N 3.1Å; K192-F194 VanDerWaalsContact C-N 3.34Å |
| 195 | A | 61.6 | Low | 62.8 | Low | 58 Ų | 58 | 140 Ų | 140 | 48% | 0.479 | 76% | 0.762 | S | S | . | * | trans | -119.1 | 19.5 | -172 | 0 | 0 | 0 | 0 | 0 | 113.7 | P186 | P186-A195 HydrophobicContact CB-CB 4.19Š| ||
| 196 | S | 57.9 | Low | 62.9 | Low | 173 Ų | 173 | 136.5 Ų | 136.5 | 100% | 1.21 | 76% | 0.755 | S | S | * | * | trans | -109.5 | 0 | 175.5 | -62.4 | 0 | 0 | 0 | 0 | 111.9 |
Retrieved 196 of 196 residues in 115.8 ms
(Link to these results)