| 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 | 41.9 | Very low | 51 | Low | 233 Ų | 233 | 143.1 Ų | 143.1 | 100% | 1.148 | 78% | 0.783 | S | S | * | * | 0 | 118.9 | 0 | -65.1 | -176 | 175.3 | 0 | 0 | 107.3 | K3 | M1-K3 PolarHBondContact O-N 3.49Š| |||
| 2 | P | 44.2 | Very low | 52.2 | Low | 130 Ų | 130 | 141.8 Ų | 141.8 | 84% | 0.844 | 76% | 0.764 | S | S | * | * | trans | -67.1 | 128.8 | 172.4 | 29.5 | -29 | 0 | 0 | 0 | 107.4 | A4 | P2-A4 PolarHBondContact O-N 3.44Š| ||
| 3 | K | 44.7 | Very low | 53.8 | Low | 208 Ų | 208 | 139.5 Ų | 139.5 | 90% | 0.904 | 76% | 0.762 | S | S | * | * | trans | -61.6 | 122.7 | 176.5 | -74.5 | 179.5 | 175.8 | 175.6 | 0 | 107.5 | M1 G5 | M1-K3 PolarHBondContact O-N 3.49Å; K3-G5 VanDerWaalsContact C-N 3.35Å; K3-G5 PolarHBondContact O-N 3.37Å | ||
| 4 | A | 49.2 | Very low | 55.5 | Low | 106 Ų | 106 | 137.7 Ų | 137.7 | 88% | 0.876 | 76% | 0.76 | S | S | * | * | trans | -61.3 | 97.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | P2 | P2-A4 PolarHBondContact O-N 3.44Š| ||
| 5 | G | 49 | Very low | 57.5 | Low | 62 Ų | 62 | 130.3 Ų | 130.3 | 64% | 0.639 | 72% | 0.716 | S | S | * | * | trans | -63.8 | 133.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | K3 V7 | K3-G5 VanDerWaalsContact C-N 3.35Å; K3-G5 PolarHBondContact O-N 3.37Å; G5-V7 PolarHBondContact O-N 3.15Å; G5-V7 VanDerWaalsContact O-N 3.14Å | ||
| 6 | R | 49.7 | Very low | 59.6 | Low | 205 Ų | 205 | 126.4 Ų | 126.4 | 77% | 0.774 | 70% | 0.698 | S | S | * | * | trans | -59.7 | 112.4 | 179.6 | -163.3 | 167.1 | -175.6 | -177.1 | 6.9 | 109.2 | F8 | R6-F8 HydrophobicContact CB-CD2 4.18Å; R6-F8 HydrophobicContact CB-CE2 3.8Å; R6-F8 HydrophobicContact CB-CZ 4.5Å; R6-F8 VanDerWaalsContact CD-CE2 3.47Å; R6-F8 HydrophobicContact CG-CD2 4.06Å; R6-F8 HydrophobicContact CG-CE1 4.46Å; R6-F8 HydrophobicContact CG-CE2 3.56Å; R6-F8 HydrophobicContact CG-CZ 3.8Å; R6-F8 WeakPolarHBondContact O-CD2 3.28Å; R6-F8 PolarHBondContact O-N 3.38Å; R6-F8 VanDerWaalsContact O-N 3.16Å | ||
| 7 | V | 50.6 | Low | 61.4 | Low | 105 Ų | 105 | 122.6 Ų | 122.6 | 64% | 0.636 | 68% | 0.675 | S | S | * | * | trans | -75.7 | 102.3 | 175.9 | -173.1 | 0 | 0 | 0 | 0 | 108.2 | G5 F9 | G5-V7 PolarHBondContact O-N 3.15Å; G5-V7 VanDerWaalsContact O-N 3.14Å; V7-F9 HydrophobicContact CB-CE2 4.32Å; V7-F9 HydrophobicContact CB-CZ 4.31Å; V7-F9 HydrophobicContact CG1-CD1 4.28Å; V7-F9 HydrophobicContact CG1-CD2 4.42Å; V7-F9 HydrophobicContact CG1-CE1 3.82Å; V7-F9 HydrophobicContact CG1-CE2 3.97Å; V7-F9 HydrophobicContact CG1-CZ 3.65Å | ||
| 8 | F | 49.8 | Very low | 63.1 | Low | 119 Ų | 119 | 123.9 Ų | 123.9 | 52% | 0.522 | 67% | 0.672 | S | S | . | * | trans | -91 | 108.3 | 172 | -73.4 | -83.8 | 0 | 0 | 0 | 109.5 | R6 G10 H11 | R6-F8 HydrophobicContact CB-CD2 4.18Å; R6-F8 HydrophobicContact CB-CE2 3.8Å; R6-F8 HydrophobicContact CB-CZ 4.5Å; R6-F8 VanDerWaalsContact CD-CE2 3.47Å; R6-F8 HydrophobicContact CG-CD2 4.06Å; R6-F8 HydrophobicContact CG-CE1 4.46Å; R6-F8 HydrophobicContact CG-CE2 3.56Å; R6-F8 HydrophobicContact CG-CZ 3.8Å; R6-F8 WeakPolarHBondContact O-CD2 3.28Å; R6-F8 PolarHBondContact O-N 3.38Å; R6-F8 VanDerWaalsContact O-N 3.16Å; F8-G10 PolarHBondContact O-N 3.15Å; F8-G10 VanDerWaalsContact O-N 3.12Å; F8-H11 HydrophobicContact CB-CB 4.4Å; F8-H11 PolarHBondContact O-N 3.12Å | ||
| 9 | F | 58.9 | Low | 64.7 | Low | 201 Ų | 201 | 120.3 Ų | 120.3 | 88% | 0.882 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | 4.4 | -179.2 | -62.8 | -83.4 | 0 | 0 | 0 | 114.8 | V7 | V7-F9 HydrophobicContact CB-CE2 4.32Å; V7-F9 HydrophobicContact CB-CZ 4.31Å; V7-F9 HydrophobicContact CG1-CD1 4.28Å; V7-F9 HydrophobicContact CG1-CD2 4.42Å; V7-F9 HydrophobicContact CG1-CE1 3.82Å; V7-F9 HydrophobicContact CG1-CE2 3.97Å; V7-F9 HydrophobicContact CG1-CZ 3.65Å |
| 10 | G | 61.6 | Low | 66.1 | Low | 78 Ų | 78 | 114.3 Ų | 114.3 | 80% | 0.804 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.4 | 19.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | F8 | F8-G10 PolarHBondContact O-N 3.15Å; F8-G10 VanDerWaalsContact O-N 3.12Å |
| 11 | H | 61.8 | Low | 67.5 | Low | 127 Ų | 127 | 114.4 Ų | 114.4 | 59% | 0.588 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 146.1 | -179.1 | -153.7 | -91.8 | 0 | 0 | 0 | 110.9 | F8 | F8-H11 HydrophobicContact CB-CB 4.4Å; F8-H11 PolarHBondContact O-N 3.12Å |
| 12 | K | 65.2 | Low | 70 | Confident | 128 Ų | 128 | 107 Ų | 107 | 56% | 0.557 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -50 | 145.6 | 167.3 | -67.5 | 178 | -177.1 | 175.6 | 0 | 108.4 | ||
| 13 | P | 73 | Confident | 72.4 | Confident | 112 Ų | 112 | 103.7 Ų | 103.7 | 73% | 0.727 | 55% | 0.549 | S | S | * | . | P | Polyproline II helix | trans | -48.5 | 141.2 | 179.1 | 20.9 | -33.1 | 0 | 0 | 0 | 109.9 | Y15 | P13-Y15 PolarHBondContact O-N 3.22Š|
| 14 | P | 77.5 | Confident | 74.8 | Confident | 114 Ų | 114 | 93.8 Ų | 93.8 | 74% | 0.74 | 51% | 0.506 | S | S | * | . | P | Polyproline II helix | trans | -56.2 | 139.1 | -175.3 | 24.9 | -34.2 | 0 | 0 | 0 | 109.5 | ||
| 15 | Y | 85.7 | Confident | 77 | Confident | 27 Ų | 27 | 90 Ų | 90 | 11% | 0.106 | 47% | 0.471 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 141.8 | 172.5 | -71.9 | -70.2 | 0 | 0 | 0 | 109.8 | P13 V20 R23 F67 E93 V95 | P13-Y15 PolarHBondContact O-N 3.22Å; Y15-V20 HydrophobicContact CD1-CG2 3.97Å; Y15-V20 HydrophobicContact CG-CG2 4.05Å; Y15-R23 PolarHBondContact OH-NH1 3.36Å; Y15-F67 HydrophobicContact CD1-CE1 4.5Å; Y15-F67 AromaticContact CE1-CD1 3.97Å; Y15-F67 HydrophobicContact CE1-CD1 3.97Å; Y15-F67 AromaticContact CE1-CE1 3.89Å; Y15-F67 HydrophobicContact CE1-CE1 3.89Å; Y15-F67 HydrophobicContact CE2-CD1 4.43Å; Y15-F67 AromaticContact CZ-CD1 3.77Å; Y15-E93 HydrophobicContact CD2-CB 3.92Å; Y15-E93 HydrophobicContact CD2-CG 3.56Å; Y15-E93 WeakPolarHBondContact CD2-OE2 3.42Å; Y15-E93 HydrophobicContact CE2-CG 3.84Å; Y15-E93 WeakPolarHBondContact CE2-OE2 3.4Å; Y15-E93 HydrophobicContact CG-CG 4.45Å; Y15-V95 WeakPolarHBondContact O-CG2 3.42Å |
| 16 | T | 90.3 | Very high | 79.2 | Confident | 68 Ų | 68 | 91.3 Ų | 91.3 | 42% | 0.417 | 46% | 0.463 | S | S | . | . | trans | -114.4 | 157.1 | 167.4 | 63 | 0 | 0 | 0 | 0 | 106.7 | K18 T19 V20 | T16-K18 PolarHBondContact O-N 2.87Å; T16-T19 PolarHBondContact N-OG1 2.97Å; T16-T19 PolarHBondContact O-N 3.46Å; T16-T19 PolarHBondContact O-OG1 3.32Å; T16-T19 VanDerWaalsContact O-OG1 3.1Å; T16-T19 WeakPolarHBondContact OG1-CG2 3.43Å; T16-T19 PolarHBondContact OG1-N 3.32Å; T16-T19 VanDerWaalsContact OG1-N 3.08Å; T16-T19 PolarHBondContact OG1-OG1 3.46Å; T16-T19 VanDerWaalsContact OG1-OG1 3.1Å; T16-V20 PolarHBondContact O-N 2.82Å | ||
| 17 | M | 90.3 | Very high | 81.3 | Confident | 62 Ų | 62 | 82.8 Ų | 82.8 | 31% | 0.305 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -50.5 | -38 | 175.5 | -68.7 | -58.8 | -69.6 | 0 | 0 | 111.7 | R21 C90 V95 E97 | M17-R21 VanDerWaalsContact O-CB 3.24Å; M17-R21 WeakPolarHBondContact O-CB 3.4Å; M17-R21 PolarHBondContact O-N 2.65Å; M17-C90 HydrophobicContact CE-CB 4.31Å; M17-C90 HydrophobicContact SD-CB 3.75Å; M17-C90 PolarHBondContact SD-SG 2.94Å; M17-V95 HydrophobicContact CG-CG1 3.95Å; M17-V95 HydrophobicContact SD-CB 4.41Å; M17-V95 HydrophobicContact SD-CG1 3.74Å; M17-E97 HydrophobicContact CG-CG 4.25Å |
| 18 | K | 92.6 | Very high | 83.4 | Confident | 146 Ų | 146 | 77.9 Ų | 77.9 | 64% | 0.635 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -64.6 | -51 | 175.6 | -175.3 | -179.7 | 176.8 | -173.9 | 0 | 112.2 | T16 V20 R21 D22 | T16-K18 PolarHBondContact O-N 2.87Å; K18-V20 VanDerWaalsContact C-N 3.34Å; K18-V20 PolarHBondContact O-N 3.09Å; K18-R21 PolarHBondContact O-N 3.18Å; K18-D22 WeakPolarHBondContact CG-OD2 3.42Å; K18-D22 WeakPolarHBondContact O-CB 2.96Å; K18-D22 PolarHBondContact O-N 3.18Å |
| 19 | T | 92.4 | Very high | 85.5 | Confident | 54 Ų | 54 | 76.8 Ų | 76.8 | 33% | 0.331 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -67.7 | -34.1 | -177.5 | 54.8 | 0 | 0 | 0 | 0 | 112.5 | T16 R23 | T16-T19 PolarHBondContact N-OG1 2.97Å; T16-T19 PolarHBondContact O-N 3.46Å; T16-T19 PolarHBondContact O-OG1 3.32Å; T16-T19 VanDerWaalsContact O-OG1 3.1Å; T16-T19 WeakPolarHBondContact OG1-CG2 3.43Å; T16-T19 PolarHBondContact OG1-N 3.32Å; T16-T19 VanDerWaalsContact OG1-N 3.08Å; T16-T19 PolarHBondContact OG1-OG1 3.46Å; T16-T19 VanDerWaalsContact OG1-OG1 3.1Å; T19-R23 WeakPolarHBondContact O-CB 3.46Å; T19-R23 VanDerWaalsContact O-CG 3.24Å; T19-R23 WeakPolarHBondContact O-CG 3.37Å; T19-R23 PolarHBondContact O-N 3.09Å |
| 20 | V | 94 | Very high | 87.1 | Confident | 0 Ų | 0 | 73.6 Ų | 73.6 | 0% | 0 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -62.7 | -51.2 | 171.7 | 175.6 | 0 | 0 | 0 | 0 | 110.2 | Y15 T16 K18 D22 R23 V24 F67 V86 V89 | Y15-V20 HydrophobicContact CD1-CG2 3.97Å; Y15-V20 HydrophobicContact CG-CG2 4.05Å; T16-V20 PolarHBondContact O-N 2.82Å; K18-V20 VanDerWaalsContact C-N 3.34Å; K18-V20 PolarHBondContact O-N 3.09Å; V20-D22 VanDerWaalsContact C-N 3.34Å; V20-D22 PolarHBondContact O-N 3.32Å; V20-R23 PolarHBondContact O-N 2.78Å; V20-V24 HydrophobicContact CG1-CG2 4.21Å; V20-V24 WeakPolarHBondContact O-CG2 3.38Å; V20-V24 PolarHBondContact O-N 2.94Å; V20-F67 HydrophobicContact CG1-CE1 4.45Å; V20-F67 HydrophobicContact CG1-CZ 4.32Å; V20-V86 HydrophobicContact CG1-CB 4.47Å; V20-V86 HydrophobicContact CG1-CG1 4.12Å; V20-V89 HydrophobicContact CB-CG1 4.4Å; V20-V89 HydrophobicContact CG1-CB 3.66Å; V20-V89 HydrophobicContact CG1-CG1 3.49Å; V20-V89 VanDerWaalsContact CG1-CG1 3.49Å; V20-V89 HydrophobicContact CG1-CG2 4.44Å; V20-V89 HydrophobicContact CG2-CG1 4.01Å |
| 21 | R | 94.4 | Very high | 88.6 | Confident | 117 Ų | 117 | 71.3 Ų | 71.3 | 44% | 0.442 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -55 | -49.4 | 178.1 | 175.8 | -179.9 | 177.9 | 149.4 | 2.7 | 112 | M17 K18 R23 V24 L25 L41 V86 | M17-R21 VanDerWaalsContact O-CB 3.24Å; M17-R21 WeakPolarHBondContact O-CB 3.4Å; M17-R21 PolarHBondContact O-N 2.65Å; K18-R21 PolarHBondContact O-N 3.18Å; R21-R23 VanDerWaalsContact C-N 3.32Å; R21-R23 PolarHBondContact O-N 3.14Å; R21-V24 PolarHBondContact O-N 2.93Å; R21-L25 HydrophobicContact CG-CD1 3.98Å; R21-L25 WeakPolarHBondContact O-CB 3.37Å; R21-L25 VanDerWaalsContact O-CG 3.31Å; R21-L25 WeakPolarHBondContact O-CG 3.41Å; R21-L25 PolarHBondContact O-N 3.2Å; R21-L41 HydrophobicContact CG-CD1 4.42Å; R21-L41 HydrophobicContact CG-CD2 4.3Å; R21-L41 VanDerWaalsContact NH1-CD1 3.3Å; R21-V86 HydrophobicContact CB-CG1 4.5Å; R21-V86 HydrophobicContact CB-CG2 4.38Å |
| 22 | D | 94.7 | Very high | 90.1 | Very high | 79 Ų | 79 | 71.9 Ų | 71.9 | 42% | 0.422 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.8 | -39.6 | -177.3 | -67 | -14.4 | 0 | 0 | 0 | 110.9 | K18 V20 L26 | K18-D22 WeakPolarHBondContact CG-OD2 3.42Å; K18-D22 WeakPolarHBondContact O-CB 2.96Å; K18-D22 PolarHBondContact O-N 3.18Å; V20-D22 VanDerWaalsContact C-N 3.34Å; V20-D22 PolarHBondContact O-N 3.32Å; D22-L26 VanDerWaalsContact O-CB 3.3Å; D22-L26 WeakPolarHBondContact O-CB 3.45Å; D22-L26 PolarHBondContact O-N 2.94Å |
| 23 | R | 94.3 | Very high | 91.4 | Very high | 60 Ų | 60 | 70.8 Ų | 70.8 | 23% | 0.226 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -70.2 | -44.7 | 177.5 | -71.2 | -177.3 | 78.6 | -170.3 | -8.5 | 113 | Y15 T19 V20 R21 L25 L26 V27 E66 F67 | Y15-R23 PolarHBondContact OH-NH1 3.36Å; T19-R23 WeakPolarHBondContact O-CB 3.46Å; T19-R23 VanDerWaalsContact O-CG 3.24Å; T19-R23 WeakPolarHBondContact O-CG 3.37Å; T19-R23 PolarHBondContact O-N 3.09Å; V20-R23 PolarHBondContact O-N 2.78Å; R21-R23 VanDerWaalsContact C-N 3.32Å; R21-R23 PolarHBondContact O-N 3.14Å; R23-L25 VanDerWaalsContact C-N 3.32Å; R23-L25 PolarHBondContact O-N 2.96Å; R23-L26 WeakPolarHBondContact O-CB 3.48Å; R23-L26 PolarHBondContact O-N 3.39Å; R23-V27 WeakPolarHBondContact O-CG2 3.43Å; R23-V27 PolarHBondContact O-N 3.48Å; R23-E66 IonicContact CZ-OE1 3.11Å; R23-E66 IonicContact CZ-OE2 3.9Å; R23-E66 IonicContact NE-OE1 2.66Å; R23-E66 PolarHBondContact NE-OE1 3.41Å; R23-E66 PolarHBondContact NH2-O 2.99Å; R23-E66 IonicContact NH2-OE1 2.83Å; R23-E66 PolarHBondContact NH2-OE1 3.13Å; R23-E66 IonicContact NH2-OE2 2.89Å; R23-E66 PolarHBondContact NH2-OE2 3.21Å; R23-F67 HydrophobicContact CB-CE1 4.29Å; R23-F67 HydrophobicContact CB-CZ 3.93Å |
| 24 | V | 95.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -58.1 | -47.4 | 175.2 | 171 | 0 | 0 | 0 | 0 | 110.3 | V20 R21 L26 V27 L28 M63 F67 P82 I85 V86 V89 | V20-V24 HydrophobicContact CG1-CG2 4.21Å; V20-V24 WeakPolarHBondContact O-CG2 3.38Å; V20-V24 PolarHBondContact O-N 2.94Å; R21-V24 PolarHBondContact O-N 2.93Å; V24-L26 VanDerWaalsContact C-N 3.33Å; V24-L26 PolarHBondContact O-N 3.05Å; V24-V27 PolarHBondContact O-N 3.1Å; V24-L28 HydrophobicContact CG1-CD1 3.87Å; V24-L28 VanDerWaalsContact O-CG 3.3Å; V24-L28 WeakPolarHBondContact O-CG 3.17Å; V24-L28 PolarHBondContact O-N 3.22Å; V24-L28 VanDerWaalsContact O-N 3.11Å; V24-M63 HydrophobicContact CB-SD 4.44Å; V24-M63 HydrophobicContact CG1-CE 4.19Å; V24-M63 HydrophobicContact CG1-SD 4.25Å; V24-M63 HydrophobicContact CG2-SD 4.18Å; V24-F67 HydrophobicContact CG2-CE2 3.76Å; V24-F67 HydrophobicContact CG2-CZ 3.75Å; V24-P82 HydrophobicContact CG1-CB 4.46Å; V24-I85 HydrophobicContact CG1-CB 4.09Å; V24-I85 HydrophobicContact CG1-CG2 3.87Å; V24-I85 HydrophobicContact CG2-CG2 3.8Å; V24-V86 HydrophobicContact CB-CG2 3.87Å; V24-V86 HydrophobicContact CG1-CG2 4.02Å; V24-V86 HydrophobicContact CG2-CG2 3.86Å; V24-V89 HydrophobicContact CG2-CG2 4.49Å |
| 25 | L | 95.4 | Very high | 92.9 | Very high | 27 Ų | 27 | 64 Ų | 64 | 14% | 0.141 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.4 | -38.5 | 178.4 | -71 | 175.8 | 0 | 0 | 0 | 112 | R21 R23 L28 Q29 L39 L41 P82 | R21-L25 HydrophobicContact CG-CD1 3.98Å; R21-L25 WeakPolarHBondContact O-CB 3.37Å; R21-L25 VanDerWaalsContact O-CG 3.31Å; R21-L25 WeakPolarHBondContact O-CG 3.41Å; R21-L25 PolarHBondContact O-N 3.2Å; R23-L25 VanDerWaalsContact C-N 3.32Å; R23-L25 PolarHBondContact O-N 2.96Å; L25-L28 PolarHBondContact O-N 3.48Å; L25-Q29 WeakPolarHBondContact O-CB 3.41Å; L25-Q29 WeakPolarHBondContact O-CG 3.48Å; L25-Q29 PolarHBondContact O-N 3.45Å; L25-L39 HydrophobicContact CD2-CD2 3.96Å; L25-L39 HydrophobicContact CD2-CG 4.08Å; L25-L41 HydrophobicContact CD1-CD2 4.48Å; L25-L41 HydrophobicContact CD2-CD2 4.14Å; L25-L41 HydrophobicContact CG-CD2 4.4Å; L25-P82 HydrophobicContact CD2-CB 4.44Å |
| 26 | L | 94.5 | Very high | 93.2 | Very high | 88 Ų | 88 | 65.7 Ų | 65.7 | 46% | 0.461 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.2 | -48.7 | 177 | 179.9 | 64.3 | 0 | 0 | 0 | 111.7 | D22 R23 V24 L28 Q29 L30 | D22-L26 VanDerWaalsContact O-CB 3.3Å; D22-L26 WeakPolarHBondContact O-CB 3.45Å; D22-L26 PolarHBondContact O-N 2.94Å; R23-L26 WeakPolarHBondContact O-CB 3.48Å; R23-L26 PolarHBondContact O-N 3.39Å; V24-L26 VanDerWaalsContact C-N 3.33Å; V24-L26 PolarHBondContact O-N 3.05Å; L26-L28 VanDerWaalsContact C-N 3.31Å; L26-L28 PolarHBondContact O-N 3.11Å; L26-Q29 PolarHBondContact O-N 3.39Å; L26-L30 HydrophobicContact CD1-CD1 4.42Å; L26-L30 HydrophobicContact CG-CD1 4.31Å; L26-L30 WeakPolarHBondContact O-CG 3.48Å; L26-L30 PolarHBondContact O-N 3.29Å; L26-L30 VanDerWaalsContact O-N 3.13Å |
| 27 | V | 94.7 | Very high | 93.2 | Very high | 26 Ų | 26 | 69.6 Ų | 69.6 | 16% | 0.158 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60 | -43.7 | 178.3 | 174.3 | 0 | 0 | 0 | 0 | 110.8 | R23 V24 Q29 L30 Y31 A62 M63 E66 | R23-V27 WeakPolarHBondContact O-CG2 3.43Å; R23-V27 PolarHBondContact O-N 3.48Å; V24-V27 PolarHBondContact O-N 3.1Å; V27-Q29 PolarHBondContact O-N 2.93Å; V27-L30 PolarHBondContact O-N 2.98Å; V27-Y31 PolarHBondContact O-N 2.88Å; V27-A62 HydrophobicContact CG1-CB 3.75Å; V27-M63 HydrophobicContact CB-CE 3.64Å; V27-M63 HydrophobicContact CB-SD 4.38Å; V27-M63 HydrophobicContact CG1-CE 3.5Å; V27-M63 HydrophobicContact CG1-SD 4.35Å; V27-E66 HydrophobicContact CG2-CB 3.97Å; V27-E66 HydrophobicContact CG2-CG 3.69Å |
| 28 | L | 95.1 | Very high | 93.2 | Very high | 2 Ų | 2 | 72.9 Ų | 72.9 | 1% | 0.01 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -66.6 | -34.1 | 177.9 | -68.3 | 170.8 | 0 | 0 | 0 | 113.1 | V24 L25 L26 L30 Y31 I34 L39 F45 V59 M63 P82 | V24-L28 HydrophobicContact CG1-CD1 3.87Å; V24-L28 VanDerWaalsContact O-CG 3.3Å; V24-L28 WeakPolarHBondContact O-CG 3.17Å; V24-L28 PolarHBondContact O-N 3.22Å; V24-L28 VanDerWaalsContact O-N 3.11Å; L25-L28 PolarHBondContact O-N 3.48Å; L26-L28 VanDerWaalsContact C-N 3.31Å; L26-L28 PolarHBondContact O-N 3.11Å; L28-L30 VanDerWaalsContact C-N 3.27Å; L28-L30 PolarHBondContact O-N 2.97Å; L28-Y31 PolarHBondContact O-N 3.29Å; L28-I34 HydrophobicContact CB-CD1 4.07Å; L28-I34 HydrophobicContact CD2-CD1 3.75Å; L28-I34 WeakPolarHBondContact O-CB 3.49Å; L28-I34 WeakPolarHBondContact O-CD1 3.33Å; L28-L39 HydrophobicContact CB-CD1 4.15Å; L28-L39 HydrophobicContact CB-CD2 3.73Å; L28-L39 HydrophobicContact CD1-CD1 4.11Å; L28-F45 HydrophobicContact CD1-CE1 4.08Å; L28-F45 HydrophobicContact CD1-CZ 4.21Å; L28-F45 HydrophobicContact CD2-CE1 3.74Å; L28-F45 HydrophobicContact CD2-CZ 4.1Å; L28-V59 HydrophobicContact CD2-CG1 3.49Å; L28-V59 VanDerWaalsContact CD2-CG1 3.49Å; L28-V59 HydrophobicContact CD2-CG2 4.18Å; L28-M63 HydrophobicContact CD1-CE 4.43Å; L28-M63 HydrophobicContact CD2-CE 3.92Å; L28-M63 HydrophobicContact CG-CE 3.72Å; L28-P82 HydrophobicContact CD1-CB 3.56Å; L28-P82 HydrophobicContact CD1-CG 3.6Å |
| 29 | Q | 93.6 | Very high | 93.2 | Very high | 96 Ų | 96 | 66.9 Ų | 66.9 | 45% | 0.449 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -69.4 | -25.3 | 175 | -75.1 | 173.4 | 16.3 | 0 | 0 | 113.1 | L25 L26 V27 Y31 P36 L39 | L25-Q29 WeakPolarHBondContact O-CB 3.41Å; L25-Q29 WeakPolarHBondContact O-CG 3.48Å; L25-Q29 PolarHBondContact O-N 3.45Å; L26-Q29 PolarHBondContact O-N 3.39Å; V27-Q29 PolarHBondContact O-N 2.93Å; Q29-Y31 VanDerWaalsContact C-N 3.34Å; Q29-P36 HydrophobicContact CG-CB 4.24Å; Q29-L39 HydrophobicContact CG-CD2 3.69Å |
| 30 | L | 93.2 | Very high | 93.3 | Very high | 135 Ų | 135 | 67.6 Ų | 67.6 | 71% | 0.707 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -83.9 | -11.6 | 177.5 | -67.7 | 173.2 | 0 | 0 | 0 | 112.8 | L26 V27 L28 D32 | L26-L30 HydrophobicContact CD1-CD1 4.42Å; L26-L30 HydrophobicContact CG-CD1 4.31Å; L26-L30 WeakPolarHBondContact O-CG 3.48Å; L26-L30 PolarHBondContact O-N 3.29Å; L26-L30 VanDerWaalsContact O-N 3.13Å; V27-L30 PolarHBondContact O-N 2.98Å; L28-L30 VanDerWaalsContact C-N 3.27Å; L28-L30 PolarHBondContact O-N 2.97Å; L30-D32 PolarHBondContact O-N 2.54Å |
| 31 | Y | 93.3 | Very high | 93.4 | Very high | 30 Ų | 30 | 69.9 Ų | 69.9 | 12% | 0.118 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -76 | 120.5 | 175.7 | -163.4 | -107.3 | 0 | 0 | 0 | 110 | V27 L28 Q29 K33 I34 L51 D55 E58 V59 | V27-Y31 PolarHBondContact O-N 2.88Å; L28-Y31 PolarHBondContact O-N 3.29Å; Q29-Y31 VanDerWaalsContact C-N 3.34Å; Y31-K33 HydrophobicContact CD1-CB 4Å; Y31-K33 HydrophobicContact CE1-CB 3.77Å; Y31-K33 HydrophobicContact CE1-CD 4.04Å; Y31-K33 HydrophobicContact CE1-CG 4.17Å; Y31-K33 PolarHBondContact O-N 2.6Å; Y31-K33 VanDerWaalsContact O-N 3.15Å; Y31-I34 HydrophobicContact CD1-CD1 4.09Å; Y31-I34 HydrophobicContact CD1-CG1 4.01Å; Y31-I34 HydrophobicContact CG-CD1 4.48Å; Y31-I34 PolarHBondContact O-N 2.94Å; Y31-L51 HydrophobicContact CD1-CD2 4.5Å; Y31-L51 HydrophobicContact CE1-CD2 4.14Å; Y31-D55 HydrophobicContact CE1-CB 4.28Å; Y31-D55 WeakPolarHBondContact OH-CA 3.43Å; Y31-D55 PolarHBondContact OH-OD1 3.22Å; Y31-E58 HydrophobicContact CE2-CB 4Å; Y31-E58 WeakPolarHBondContact CE2-OE2 3.47Å; Y31-E58 PolarHBondContact OH-OE2 3.5Å; Y31-V59 HydrophobicContact CD1-CG2 4.28Å; Y31-V59 HydrophobicContact CD2-CG2 4.45Å; Y31-V59 HydrophobicContact CE1-CG2 4.32Å; Y31-V59 HydrophobicContact CG-CG2 4.34Å |
| 32 | D | 92.3 | Very high | 93.4 | Very high | 138 Ų | 138 | 68.8 Ų | 68.8 | 74% | 0.738 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -26.7 | -168.1 | 64.9 | -25.5 | 0 | 0 | 0 | 114.4 | L30 | L30-D32 PolarHBondContact O-N 2.54Š|
| 33 | K | 91.7 | Very high | 93.4 | Very high | 105 Ų | 105 | 65.1 Ų | 65.1 | 46% | 0.457 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -10.7 | 177.6 | -62.2 | 177.5 | 179.5 | 177.8 | 0 | 114.2 | Y31 L51 D55 | Y31-K33 HydrophobicContact CD1-CB 4Å; Y31-K33 HydrophobicContact CE1-CB 3.77Å; Y31-K33 HydrophobicContact CE1-CD 4.04Å; Y31-K33 HydrophobicContact CE1-CG 4.17Å; Y31-K33 PolarHBondContact O-N 2.6Å; Y31-K33 VanDerWaalsContact O-N 3.15Å; K33-L51 HydrophobicContact CB-CD2 3.77Å; K33-D55 WeakPolarHBondContact CD-OD1 3.46Å; K33-D55 WeakPolarHBondContact CD-OD2 3.45Å; K33-D55 IonicContact NZ-OD1 2.54Å; K33-D55 PolarHBondContact NZ-OD1 3.4Å; K33-D55 IonicContact NZ-OD2 3.5Å; K33-D55 PolarHBondContact NZ-OD2 3.04Å |
| 34 | I | 92.5 | Very high | 93.4 | Very high | 8 Ų | 8 | 64.5 Ų | 64.5 | 4% | 0.041 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -94.6 | 125.7 | 178.9 | -69.6 | 172.2 | 0 | 0 | 0 | 109.6 | L28 Y31 P36 L39 L49 L51 | L28-I34 HydrophobicContact CB-CD1 4.07Å; L28-I34 HydrophobicContact CD2-CD1 3.75Å; L28-I34 WeakPolarHBondContact O-CB 3.49Å; L28-I34 WeakPolarHBondContact O-CD1 3.33Å; Y31-I34 HydrophobicContact CD1-CD1 4.09Å; Y31-I34 HydrophobicContact CD1-CG1 4.01Å; Y31-I34 HydrophobicContact CG-CD1 4.48Å; Y31-I34 PolarHBondContact O-N 2.94Å; I34-P36 WeakPolarHBondContact O-CD 3.39Å; I34-L39 HydrophobicContact CG2-CB 4.2Å; I34-L39 HydrophobicContact CG2-CD1 4.18Å; I34-L39 HydrophobicContact CG2-CD2 4.41Å; I34-L39 HydrophobicContact CG2-CG 4.49Å; I34-L49 HydrophobicContact CD1-CD1 4.38Å; I34-L49 HydrophobicContact CG1-CD1 4.3Å; I34-L49 HydrophobicContact CG2-CD1 4.41Å; I34-L51 HydrophobicContact CD1-CD1 4.03Å; I34-L51 HydrophobicContact CG1-CD1 4.06Å; I34-L51 HydrophobicContact CG1-CD2 4.24Å |
| 35 | N | 90.8 | Very high | 93.3 | Very high | 75 Ų | 75 | 64.5 Ų | 64.5 | 40% | 0.401 | 34% | 0.34 | S | S | . | . | trans | -80.9 | 117.1 | 167.3 | -177.4 | -14.5 | 0 | 0 | 0 | 109.6 | D37 K38 L39 | N35-D37 PolarHBondContact O-N 3.1Å; N35-D37 VanDerWaalsContact O-N 3.12Å; N35-D37 WeakPolarHBondContact OD1-CB 3.45Å; N35-D37 PolarHBondContact OD1-N 3.09Å; N35-K38 HydrophobicContact CB-CG 4.47Å; N35-K38 PolarHBondContact O-N 3.28Å; N35-L39 PolarHBondContact O-N 2.8Å | ||
| 36 | P | 90.4 | Very high | 93.2 | Very high | 64 Ų | 64 | 66.2 Ų | 66.2 | 42% | 0.416 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -54.8 | -31.3 | 179.3 | -27 | 36.4 | 0 | 0 | 0 | 114.1 | Q29 I34 K38 L39 | Q29-P36 HydrophobicContact CG-CB 4.24Å; I34-P36 WeakPolarHBondContact O-CD 3.39Å; P36-K38 PolarHBondContact O-N 3.09Å; P36-L39 PolarHBondContact O-N 3.28Å |
| 37 | D | 91.1 | Very high | 93.1 | Very high | 150 Ų | 150 | 67.9 Ų | 67.9 | 80% | 0.802 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -69.5 | -23.1 | -178.9 | -64 | -32.8 | 0 | 0 | 0 | 113 | N35 | N35-D37 PolarHBondContact O-N 3.1Å; N35-D37 VanDerWaalsContact O-N 3.12Å; N35-D37 WeakPolarHBondContact OD1-CB 3.45Å; N35-D37 PolarHBondContact OD1-N 3.09Å |
| 38 | K | 90.5 | Very high | 93.1 | Very high | 131 Ų | 131 | 71 Ų | 71 | 57% | 0.57 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -95.7 | -12.4 | 177 | -67.1 | -173.2 | 175.5 | -175.9 | 0 | 113 | N35 P36 T40 L49 | N35-K38 HydrophobicContact CB-CG 4.47Å; N35-K38 PolarHBondContact O-N 3.28Å; P36-K38 PolarHBondContact O-N 3.09Å; K38-T40 PolarHBondContact O-N 2.89Å; K38-L49 HydrophobicContact CB-CD2 3.87Å |
| 39 | L | 93.7 | Very high | 93 | Very high | 20 Ų | 20 | 71.9 Ų | 71.9 | 11% | 0.105 | 38% | 0.381 | C | S | . | . | trans | -74.9 | 115.2 | -174.1 | -177.2 | 66.6 | 0 | 0 | 0 | 110.4 | L25 L28 Q29 I34 N35 P36 L49 P82 | L25-L39 HydrophobicContact CD2-CD2 3.96Å; L25-L39 HydrophobicContact CD2-CG 4.08Å; L28-L39 HydrophobicContact CB-CD1 4.15Å; L28-L39 HydrophobicContact CB-CD2 3.73Å; L28-L39 HydrophobicContact CD1-CD1 4.11Å; Q29-L39 HydrophobicContact CG-CD2 3.69Å; I34-L39 HydrophobicContact CG2-CB 4.2Å; I34-L39 HydrophobicContact CG2-CD1 4.18Å; I34-L39 HydrophobicContact CG2-CD2 4.41Å; I34-L39 HydrophobicContact CG2-CG 4.49Å; N35-L39 PolarHBondContact O-N 2.8Å; P36-L39 PolarHBondContact O-N 3.28Å; L39-L49 HydrophobicContact CD1-CD1 3.96Å; L39-P82 HydrophobicContact CD1-CG 3.79Å | ||
| 40 | T | 94.2 | Very high | 93 | Very high | 69 Ų | 69 | 70.3 Ų | 70.3 | 42% | 0.423 | 39% | 0.39 | S | S | . | . | trans | -131.4 | 163 | 174.2 | 65.4 | 0 | 0 | 0 | 0 | 109.4 | K38 S42 S43 P82 | K38-T40 PolarHBondContact O-N 2.89Å; T40-S42 PolarHBondContact O-N 2.87Å; T40-S42 VanDerWaalsContact O-N 3.09Å; T40-S42 PolarHBondContact OG1-OG 3.17Å; T40-S43 PolarHBondContact N-OG 3.34Å; T40-S43 VanDerWaalsContact N-OG 3.17Å; T40-S43 PolarHBondContact O-N 3.01Å; T40-S43 VanDerWaalsContact O-N 3.1Å; T40-S43 PolarHBondContact O-OG 3.02Å; T40-S43 PolarHBondContact OG1-N 3.48Å; T40-S43 VanDerWaalsContact OG1-N 3.09Å; T40-P82 WeakPolarHBondContact O-CG 3.47Å | ||
| 41 | L | 94.3 | Very high | 93 | Very high | 48 Ų | 48 | 64 Ų | 64 | 25% | 0.251 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -22.4 | 176.2 | -74.5 | -174 | 0 | 0 | 0 | 113.6 | R21 L25 P82 G83 V86 | R21-L41 HydrophobicContact CG-CD1 4.42Å; R21-L41 HydrophobicContact CG-CD2 4.3Å; R21-L41 VanDerWaalsContact NH1-CD1 3.3Å; L25-L41 HydrophobicContact CD1-CD2 4.48Å; L25-L41 HydrophobicContact CD2-CD2 4.14Å; L25-L41 HydrophobicContact CG-CD2 4.4Å; L41-P82 HydrophobicContact CD2-CB 4.19Å; L41-G83 WeakPolarHBondContact O-CA 3.39Å; L41-G83 PolarHBondContact O-N 3.31Å; L41-V86 HydrophobicContact CD2-CG2 4.25Å |
| 42 | S | 95.3 | Very high | 93.1 | Very high | 94 Ų | 94 | 66.2 Ų | 66.2 | 66% | 0.657 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | -3.1 | 178.9 | 50 | 0 | 0 | 0 | 0 | 113.9 | T40 H44 | T40-S42 PolarHBondContact O-N 2.87Å; T40-S42 VanDerWaalsContact O-N 3.09Å; T40-S42 PolarHBondContact OG1-OG 3.17Å; S42-H44 PolarHBondContact O-N 3.23Å |
| 43 | S | 94.4 | Very high | 93 | Very high | 2 Ų | 2 | 63.8 Ų | 63.8 | 1% | 0.014 | 37% | 0.365 | C | S | . | . | trans | -69.4 | 123.7 | -178.6 | 57.2 | 0 | 0 | 0 | 0 | 109.9 | T40 D48 P82 | T40-S43 PolarHBondContact N-OG 3.34Å; T40-S43 VanDerWaalsContact N-OG 3.17Å; T40-S43 PolarHBondContact O-N 3.01Å; T40-S43 VanDerWaalsContact O-N 3.1Å; T40-S43 PolarHBondContact O-OG 3.02Å; T40-S43 PolarHBondContact OG1-N 3.48Å; T40-S43 VanDerWaalsContact OG1-N 3.09Å; S43-D48 WeakPolarHBondContact CA-OD2 3.37Å; S43-P82 WeakPolarHBondContact O-CD 3.43Å | ||
| 44 | H | 94.3 | Very high | 93.1 | Very high | 46 Ų | 46 | 64.3 Ų | 64.3 | 21% | 0.213 | 37% | 0.372 | C | S | . | . | trans | -76.6 | 129.2 | 176.6 | -166.9 | -59.4 | 0 | 0 | 0 | 110.4 | S42 T46 N47 D48 L49 M80 | S42-H44 PolarHBondContact O-N 3.23Å; H44-T46 VanDerWaalsContact C-N 3.35Å; H44-T46 PolarHBondContact ND1-N 3.36Å; H44-T46 PolarHBondContact O-N 3.01Å; H44-N47 HydrophobicContact CB-CB 4.02Å; H44-N47 PolarHBondContact CD2-ND2 3.34Å; H44-N47 PolarHBondContact ND1-N 3.06Å; H44-N47 PolarHBondContact O-N 2.97Å; H44-D48 PolarHBondContact N-OD2 3.25Å; H44-D48 WeakPolarHBondContact O-CB 3.36Å; H44-D48 PolarHBondContact O-N 3.46Å; H44-L49 PolarHBondContact O-N 3.3Å; H44-M80 WeakPolarHBondContact CA-O 3.29Å | ||
| 45 | F | 93.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -49 | -176.7 | -67.5 | -49.3 | 0 | 0 | 0 | 112.3 | L28 L49 G50 L51 V59 L79 M80 P82 I85 | L28-F45 HydrophobicContact CD1-CE1 4.08Å; L28-F45 HydrophobicContact CD1-CZ 4.21Å; L28-F45 HydrophobicContact CD2-CE1 3.74Å; L28-F45 HydrophobicContact CD2-CZ 4.1Å; F45-L49 HydrophobicContact CD1-CD1 3.91Å; F45-L49 HydrophobicContact CE1-CD1 4.37Å; F45-L49 CarbonylContact O-C 3.47Å; F45-L49 WeakPolarHBondContact O-CB 3.47Å; F45-G50 PolarHBondContact O-N 3.25Å; F45-G50 VanDerWaalsContact O-N 3.09Å; F45-L51 HydrophobicContact CB-CB 4.36Å; F45-L51 HydrophobicContact CB-CD1 4.1Å; F45-L51 HydrophobicContact CD1-CD1 4Å; F45-L51 HydrophobicContact CG-CD1 4.36Å; F45-L51 WeakPolarHBondContact O-CB 3.4Å; F45-L51 PolarHBondContact O-N 3.12Å; F45-V59 HydrophobicContact CZ-CG1 4.42Å; F45-L79 WeakPolarHBondContact CD2-O 3.45Å; F45-M80 WeakPolarHBondContact CD2-O 3.24Å; F45-M80 PolarHBondContact N-O 2.84Å; F45-P82 HydrophobicContact CE1-CG 3.84Å; F45-P82 HydrophobicContact CZ-CG 3.94Å; F45-I85 HydrophobicContact CE2-CD1 3.75Å; F45-I85 HydrophobicContact CE2-CG1 4.35Å; F45-I85 HydrophobicContact CZ-CD1 3.55Å; F45-I85 HydrophobicContact CZ-CG1 4.42Å |
| 46 | T | 92.9 | Very high | 93.2 | Very high | 63 Ų | 63 | 61.9 Ų | 61.9 | 39% | 0.387 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -54.4 | 176.1 | -42.7 | 0 | 0 | 0 | 0 | 113.6 | H44 G50 L51 | H44-T46 VanDerWaalsContact C-N 3.35Å; H44-T46 PolarHBondContact ND1-N 3.36Å; H44-T46 PolarHBondContact O-N 3.01Å; T46-G50 VanDerWaalsContact O-CA 3.28Å; T46-G50 WeakPolarHBondContact O-CA 3.41Å; T46-G50 PolarHBondContact O-N 3.15Å; T46-G50 VanDerWaalsContact O-N 3.15Å; T46-L51 WeakPolarHBondContact CA-O 3.35Å |
| 47 | N | 93.5 | Very high | 93.4 | Very high | 123 Ų | 123 | 62.7 Ų | 62.7 | 66% | 0.658 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -34.8 | -167.6 | -58.9 | -35 | 0 | 0 | 0 | 113.9 | H44 | H44-N47 HydrophobicContact CB-CB 4.02Å; H44-N47 PolarHBondContact CD2-ND2 3.34Å; H44-N47 PolarHBondContact ND1-N 3.06Å; H44-N47 PolarHBondContact O-N 2.97Å |
| 48 | D | 93.7 | Very high | 93.5 | Very high | 91 Ų | 91 | 59.8 Ų | 59.8 | 49% | 0.487 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | -37 | -174.5 | -61.9 | -43.8 | 0 | 0 | 0 | 112.6 | S43 H44 | S43-D48 WeakPolarHBondContact CA-OD2 3.37Å; H44-D48 PolarHBondContact N-OD2 3.25Å; H44-D48 WeakPolarHBondContact O-CB 3.36Å; H44-D48 PolarHBondContact O-N 3.46Å |
| 49 | L | 93.6 | Very high | 93.7 | Very high | 22 Ų | 22 | 53.7 Ų | 53.7 | 12% | 0.115 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | -15.2 | -177.2 | -56.6 | 175.9 | 0 | 0 | 0 | 113 | I34 K38 L39 H44 F45 L51 | I34-L49 HydrophobicContact CD1-CD1 4.38Å; I34-L49 HydrophobicContact CG1-CD1 4.3Å; I34-L49 HydrophobicContact CG2-CD1 4.41Å; K38-L49 HydrophobicContact CB-CD2 3.87Å; L39-L49 HydrophobicContact CD1-CD1 3.96Å; H44-L49 PolarHBondContact O-N 3.3Å; F45-L49 HydrophobicContact CD1-CD1 3.91Å; F45-L49 HydrophobicContact CE1-CD1 4.37Å; F45-L49 CarbonylContact O-C 3.47Å; F45-L49 WeakPolarHBondContact O-CB 3.47Å; L49-L51 HydrophobicContact CB-CG 4.25Å |
| 50 | G | 92.8 | Very high | 93.7 | Very high | 62 Ų | 62 | 53.5 Ų | 53.5 | 64% | 0.639 | 32% | 0.316 | S | S | * | . | trans | 75.1 | 22.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | F45 T46 | F45-G50 PolarHBondContact O-N 3.25Å; F45-G50 VanDerWaalsContact O-N 3.09Å; T46-G50 VanDerWaalsContact O-CA 3.28Å; T46-G50 WeakPolarHBondContact O-CA 3.41Å; T46-G50 PolarHBondContact O-N 3.15Å; T46-G50 VanDerWaalsContact O-N 3.15Å | ||
| 51 | L | 94.1 | Very high | 93.7 | Very high | 3 Ų | 3 | 54.8 Ų | 54.8 | 2% | 0.016 | 32% | 0.319 | C | S | . | . | trans | -75.3 | 138.2 | 177.1 | -59.3 | -170.2 | 0 | 0 | 0 | 110.9 | Y31 K33 I34 F45 T46 L49 D55 V59 | Y31-L51 HydrophobicContact CD1-CD2 4.5Å; Y31-L51 HydrophobicContact CE1-CD2 4.14Å; K33-L51 HydrophobicContact CB-CD2 3.77Å; I34-L51 HydrophobicContact CD1-CD1 4.03Å; I34-L51 HydrophobicContact CG1-CD1 4.06Å; I34-L51 HydrophobicContact CG1-CD2 4.24Å; F45-L51 HydrophobicContact CB-CB 4.36Å; F45-L51 HydrophobicContact CB-CD1 4.1Å; F45-L51 HydrophobicContact CD1-CD1 4Å; F45-L51 HydrophobicContact CG-CD1 4.36Å; F45-L51 WeakPolarHBondContact O-CB 3.4Å; F45-L51 PolarHBondContact O-N 3.12Å; T46-L51 WeakPolarHBondContact CA-O 3.35Å; L49-L51 HydrophobicContact CB-CG 4.25Å; L51-D55 HydrophobicContact CB-CB 3.78Å; L51-D55 HydrophobicContact CD1-CB 4.46Å; L51-D55 HydrophobicContact CD2-CB 4.15Å; L51-D55 HydrophobicContact CG-CB 4.34Å; L51-V59 HydrophobicContact CD1-CG2 4.23Å | ||
| 52 | D | 94.4 | Very high | 93.7 | Very high | 77 Ų | 77 | 54 Ų | 54 | 41% | 0.412 | 32% | 0.319 | S | S | . | . | trans | -84.4 | -176.8 | 172.6 | 73.3 | 27.1 | 0 | 0 | 0 | 112.2 | L54 D55 Q56 | D52-L54 VanDerWaalsContact C-N 3.31Å; D52-L54 PolarHBondContact O-N 3.04Å; D52-L54 WeakPolarHBondContact OD1-CA 3.45Å; D52-L54 WeakPolarHBondContact OD1-CB 3.07Å; D52-L54 PolarHBondContact OD1-N 3.29Å; D52-D55 PolarHBondContact N-OD2 3.06Å; D52-D55 VanDerWaalsContact N-OD2 3.15Å; D52-D55 PolarHBondContact O-N 3.3Å; D52-D55 VanDerWaalsContact OD1-CG 3.29Å; D52-D55 PolarHBondContact OD1-N 2.71Å; D52-Q56 PolarHBondContact O-N 3.46Å; D52-Q56 VanDerWaalsContact O-N 3.09Å | ||
| 53 | S | 91.5 | Very high | 93.7 | Very high | 86 Ų | 86 | 49.5 Ų | 49.5 | 60% | 0.601 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -68.1 | -28.4 | -179.8 | 55.4 | 0 | 0 | 0 | 0 | 113.6 | V57 | S53-V57 WeakPolarHBondContact O-CG2 3.43Å; S53-V57 PolarHBondContact O-N 2.94Å |
| 54 | L | 93.5 | Very high | 93.7 | Very high | 117 Ų | 117 | 51.7 Ų | 51.7 | 61% | 0.613 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -74.7 | -41.1 | 177.5 | -62.4 | 177.7 | 0 | 0 | 0 | 109.8 | D52 Q56 V57 E58 | D52-L54 VanDerWaalsContact C-N 3.31Å; D52-L54 PolarHBondContact O-N 3.04Å; D52-L54 WeakPolarHBondContact OD1-CA 3.45Å; D52-L54 WeakPolarHBondContact OD1-CB 3.07Å; D52-L54 PolarHBondContact OD1-N 3.29Å; L54-Q56 VanDerWaalsContact C-N 3.29Å; L54-Q56 PolarHBondContact O-N 3.12Å; L54-V57 WeakPolarHBondContact O-CB 3.43Å; L54-V57 PolarHBondContact O-N 2.97Å; L54-V57 VanDerWaalsContact O-N 3.11Å; L54-E58 PolarHBondContact O-N 3.34Å |
| 55 | D | 94.6 | Very high | 93.7 | Very high | 7 Ų | 7 | 57.7 Ų | 57.7 | 4% | 0.037 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.1 | -40.6 | 175.2 | -63 | -22.2 | 0 | 0 | 0 | 111.7 | Y31 K33 L51 D52 V57 E58 V59 | Y31-D55 HydrophobicContact CE1-CB 4.28Å; Y31-D55 WeakPolarHBondContact OH-CA 3.43Å; Y31-D55 PolarHBondContact OH-OD1 3.22Å; K33-D55 WeakPolarHBondContact CD-OD1 3.46Å; K33-D55 WeakPolarHBondContact CD-OD2 3.45Å; K33-D55 IonicContact NZ-OD1 2.54Å; K33-D55 PolarHBondContact NZ-OD1 3.4Å; K33-D55 IonicContact NZ-OD2 3.5Å; K33-D55 PolarHBondContact NZ-OD2 3.04Å; L51-D55 HydrophobicContact CB-CB 3.78Å; L51-D55 HydrophobicContact CD1-CB 4.46Å; L51-D55 HydrophobicContact CD2-CB 4.15Å; L51-D55 HydrophobicContact CG-CB 4.34Å; D52-D55 PolarHBondContact N-OD2 3.06Å; D52-D55 VanDerWaalsContact N-OD2 3.15Å; D52-D55 PolarHBondContact O-N 3.3Å; D52-D55 VanDerWaalsContact OD1-CG 3.29Å; D52-D55 PolarHBondContact OD1-N 2.71Å; D55-V57 VanDerWaalsContact C-N 3.35Å; D55-V57 PolarHBondContact O-N 3.35Å; D55-E58 PolarHBondContact O-N 3.17Å; D55-V59 WeakPolarHBondContact O-CG2 3.34Å; D55-V59 PolarHBondContact O-N 3.01Å |
| 56 | Q | 91.6 | Very high | 93.6 | Very high | 24 Ų | 24 | 60 Ų | 60 | 11% | 0.112 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.1 | -44.4 | 174.9 | -171.9 | 175.9 | 12.6 | 0 | 0 | 111.3 | D52 L54 E58 V59 I60 L79 M80 | D52-Q56 PolarHBondContact O-N 3.46Å; D52-Q56 VanDerWaalsContact O-N 3.09Å; L54-Q56 VanDerWaalsContact C-N 3.29Å; L54-Q56 PolarHBondContact O-N 3.12Å; Q56-E58 VanDerWaalsContact C-N 3.33Å; Q56-E58 PolarHBondContact O-N 2.89Å; Q56-V59 PolarHBondContact O-N 3.4Å; Q56-I60 WeakPolarHBondContact O-CG1 3.3Å; Q56-I60 PolarHBondContact O-N 3.41Å; Q56-L79 PolarHBondContact NE2-O 3.47Å; Q56-M80 PolarHBondContact NE2-SD 3.22Å; Q56-M80 VanDerWaalsContact NE2-SD 3.38Å |
| 57 | V | 93.3 | Very high | 93.6 | Very high | 82 Ų | 82 | 57.6 Ų | 57.6 | 50% | 0.497 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.4 | -42 | 177 | 172.9 | 0 | 0 | 0 | 0 | 111 | S53 L54 D55 I60 M61 | S53-V57 WeakPolarHBondContact O-CG2 3.43Å; S53-V57 PolarHBondContact O-N 2.94Å; L54-V57 WeakPolarHBondContact O-CB 3.43Å; L54-V57 PolarHBondContact O-N 2.97Å; L54-V57 VanDerWaalsContact O-N 3.11Å; D55-V57 VanDerWaalsContact C-N 3.35Å; D55-V57 PolarHBondContact O-N 3.35Å; V57-I60 PolarHBondContact O-N 2.99Å; V57-M61 HydrophobicContact CG1-CE 4.03Å; V57-M61 HydrophobicContact CG1-SD 4.33Å; V57-M61 WeakPolarHBondContact O-CG 3.3Å; V57-M61 PolarHBondContact O-N 2.96Å |
| 58 | E | 94.1 | Very high | 93.5 | Very high | 89 Ų | 89 | 54.9 Ų | 54.9 | 42% | 0.416 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.9 | -43.9 | 175.4 | -70.3 | -179.1 | -175.1 | 0 | 0 | 112.9 | Y31 L54 D55 Q56 I60 M61 A62 | Y31-E58 HydrophobicContact CE2-CB 4Å; Y31-E58 WeakPolarHBondContact CE2-OE2 3.47Å; Y31-E58 PolarHBondContact OH-OE2 3.5Å; L54-E58 PolarHBondContact O-N 3.34Å; D55-E58 PolarHBondContact O-N 3.17Å; Q56-E58 VanDerWaalsContact C-N 3.33Å; Q56-E58 PolarHBondContact O-N 2.89Å; E58-I60 VanDerWaalsContact C-N 3.33Å; E58-I60 PolarHBondContact O-N 3.36Å; E58-M61 HydrophobicContact CB-CE 4.37Å; E58-M61 HydrophobicContact CG-CE 4.02Å; E58-M61 PolarHBondContact O-N 3.15Å; E58-A62 WeakPolarHBondContact O-CB 3.09Å; E58-A62 PolarHBondContact O-N 3.11Å |
| 59 | V | 93.9 | Very high | 93.3 | Very high | 3 Ų | 3 | 51.7 Ų | 51.7 | 2% | 0.018 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.1 | -44.2 | 174.8 | 166.8 | 0 | 0 | 0 | 0 | 111 | L28 Y31 F45 L51 D55 Q56 A62 M63 I85 | L28-V59 HydrophobicContact CD2-CG1 3.49Å; L28-V59 VanDerWaalsContact CD2-CG1 3.49Å; L28-V59 HydrophobicContact CD2-CG2 4.18Å; Y31-V59 HydrophobicContact CD1-CG2 4.28Å; Y31-V59 HydrophobicContact CD2-CG2 4.45Å; Y31-V59 HydrophobicContact CE1-CG2 4.32Å; Y31-V59 HydrophobicContact CG-CG2 4.34Å; F45-V59 HydrophobicContact CZ-CG1 4.42Å; L51-V59 HydrophobicContact CD1-CG2 4.23Å; D55-V59 WeakPolarHBondContact O-CG2 3.34Å; D55-V59 PolarHBondContact O-N 3.01Å; Q56-V59 PolarHBondContact O-N 3.4Å; V59-A62 PolarHBondContact O-N 3.49Å; V59-M63 HydrophobicContact CG1-CE 4.35Å; V59-M63 WeakPolarHBondContact O-CG 3.45Å; V59-M63 PolarHBondContact O-N 3.03Å; V59-I85 HydrophobicContact CG1-CD1 4.12Å |
| 60 | I | 93.9 | Very high | 93.3 | Very high | 15 Ų | 15 | 58.5 Ų | 58.5 | 8% | 0.077 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.5 | -46.8 | 177.8 | -66.6 | -45.5 | 0 | 0 | 0 | 111 | Q56 V57 E58 A62 M63 E64 I71 L79 I85 | Q56-I60 WeakPolarHBondContact O-CG1 3.3Å; Q56-I60 PolarHBondContact O-N 3.41Å; V57-I60 PolarHBondContact O-N 2.99Å; E58-I60 VanDerWaalsContact C-N 3.33Å; E58-I60 PolarHBondContact O-N 3.36Å; I60-A62 VanDerWaalsContact C-N 3.29Å; I60-A62 PolarHBondContact O-N 3.28Å; I60-M63 WeakPolarHBondContact O-CB 3.49Å; I60-M63 PolarHBondContact O-N 3.48Å; I60-E64 WeakPolarHBondContact O-CG 3.43Å; I60-E64 PolarHBondContact O-N 2.88Å; I60-I71 HydrophobicContact CG2-CB 3.96Å; I60-I71 HydrophobicContact CG2-CD1 3.83Å; I60-I71 HydrophobicContact CG2-CG1 4.43Å; I60-I71 HydrophobicContact CG2-CG2 4.1Å; I60-L79 HydrophobicContact CD1-CB 3.93Å; I60-L79 HydrophobicContact CD1-CD1 3.69Å; I60-L79 HydrophobicContact CD1-CG 4.41Å; I60-I85 HydrophobicContact CD1-CD1 4.46Å |
| 61 | M | 93.5 | Very high | 93.4 | Very high | 96 Ų | 96 | 56 Ų | 56 | 47% | 0.473 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59.4 | -39 | 176.2 | -69.8 | -175.5 | -60 | 0 | 0 | 112.2 | V57 E58 M63 E64 E65 | V57-M61 HydrophobicContact CG1-CE 4.03Å; V57-M61 HydrophobicContact CG1-SD 4.33Å; V57-M61 WeakPolarHBondContact O-CG 3.3Å; V57-M61 PolarHBondContact O-N 2.96Å; E58-M61 HydrophobicContact CB-CE 4.37Å; E58-M61 HydrophobicContact CG-CE 4.02Å; E58-M61 PolarHBondContact O-N 3.15Å; M61-M63 VanDerWaalsContact C-N 3.31Å; M61-M63 PolarHBondContact O-N 2.89Å; M61-E64 WeakPolarHBondContact O-CB 3.3Å; M61-E64 PolarHBondContact O-N 3.43Å; M61-E65 PolarHBondContact O-N 3.46Å |
| 62 | A | 95.1 | Very high | 93.4 | Very high | 32 Ų | 32 | 58.8 Ų | 58.8 | 26% | 0.264 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.1 | -34.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V27 E58 V59 I60 E66 | V27-A62 HydrophobicContact CG1-CB 3.75Å; E58-A62 WeakPolarHBondContact O-CB 3.09Å; E58-A62 PolarHBondContact O-N 3.11Å; V59-A62 PolarHBondContact O-N 3.49Å; I60-A62 VanDerWaalsContact C-N 3.29Å; I60-A62 PolarHBondContact O-N 3.28Å; A62-E66 VanDerWaalsContact O-CB 3.3Å; A62-E66 WeakPolarHBondContact O-CB 3.33Å; A62-E66 PolarHBondContact O-N 3.39Å |
| 63 | M | 94.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -69.6 | -40.9 | 173.7 | -64.1 | -63.1 | 151.5 | 0 | 0 | 112 | V24 V27 L28 V59 I60 M61 E65 E66 F67 I71 I85 | V24-M63 HydrophobicContact CB-SD 4.44Å; V24-M63 HydrophobicContact CG1-CE 4.19Å; V24-M63 HydrophobicContact CG1-SD 4.25Å; V24-M63 HydrophobicContact CG2-SD 4.18Å; V27-M63 HydrophobicContact CB-CE 3.64Å; V27-M63 HydrophobicContact CB-SD 4.38Å; V27-M63 HydrophobicContact CG1-CE 3.5Å; V27-M63 HydrophobicContact CG1-SD 4.35Å; L28-M63 HydrophobicContact CD1-CE 4.43Å; L28-M63 HydrophobicContact CD2-CE 3.92Å; L28-M63 HydrophobicContact CG-CE 3.72Å; V59-M63 HydrophobicContact CG1-CE 4.35Å; V59-M63 WeakPolarHBondContact O-CG 3.45Å; V59-M63 PolarHBondContact O-N 3.03Å; I60-M63 WeakPolarHBondContact O-CB 3.49Å; I60-M63 PolarHBondContact O-N 3.48Å; M61-M63 VanDerWaalsContact C-N 3.31Å; M61-M63 PolarHBondContact O-N 2.89Å; M63-E65 VanDerWaalsContact C-N 3.32Å; M63-E65 PolarHBondContact O-N 3.21Å; M63-E66 PolarHBondContact O-N 3.46Å; M63-F67 VanDerWaalsContact O-CD2 3.31Å; M63-F67 WeakPolarHBondContact O-CD2 3.27Å; M63-F67 PolarHBondContact O-N 3.36Å; M63-F67 HydrophobicContact SD-CE2 4.07Å; M63-I71 HydrophobicContact CB-CD1 4.45Å; M63-I85 HydrophobicContact CB-CG2 4.5Å; M63-I85 HydrophobicContact CE-CD1 4.39Å; M63-I85 HydrophobicContact CG-CD1 4.17Å; M63-I85 HydrophobicContact CG-CG2 3.82Å; M63-I85 HydrophobicContact SD-CG2 3.8Å |
| 64 | E | 94.5 | Very high | 93.3 | Very high | 48 Ų | 48 | 59.1 Ų | 59.1 | 22% | 0.224 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -57.5 | -46.1 | 175 | -69 | 179.1 | 146.9 | 0 | 0 | 111.5 | I60 M61 G68 F69 I71 | I60-E64 WeakPolarHBondContact O-CG 3.43Å; I60-E64 PolarHBondContact O-N 2.88Å; M61-E64 WeakPolarHBondContact O-CB 3.3Å; M61-E64 PolarHBondContact O-N 3.43Å; E64-G68 VanDerWaalsContact O-CA 3.25Å; E64-G68 WeakPolarHBondContact O-CA 3.32Å; E64-G68 PolarHBondContact O-N 3.47Å; E64-F69 WeakPolarHBondContact CA-O 3.36Å; E64-F69 WeakPolarHBondContact CB-O 3.49Å; E64-F69 VanDerWaalsContact CG-O 3.3Å; E64-F69 WeakPolarHBondContact CG-O 3.34Å; E64-F69 PolarHBondContact O-N 3.47Å; E64-I71 HydrophobicContact CG-CB 4.15Å; E64-I71 HydrophobicContact CG-CD1 4Å; E64-I71 HydrophobicContact CG-CG1 3.86Å; E64-I71 WeakPolarHBondContact OE1-CA 3.3Å; E64-I71 PolarHBondContact OE1-N 3.35Å |
| 65 | E | 94.2 | Very high | 93.3 | Very high | 171 Ų | 171 | 56.5 Ų | 56.5 | 80% | 0.799 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -65 | -45 | 177.4 | -173.8 | 174.7 | 179.4 | 0 | 0 | 112 | M61 M63 F67 | M61-E65 PolarHBondContact O-N 3.46Å; M63-E65 VanDerWaalsContact C-N 3.32Å; M63-E65 PolarHBondContact O-N 3.21Å; E65-F67 PolarHBondContact O-N 3.03Å |
| 66 | E | 93.1 | Very high | 93.3 | Very high | 50 Ų | 50 | 56.5 Ų | 56.5 | 23% | 0.234 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.5 | -42.6 | -177.3 | 173.6 | 65.8 | 172.8 | 0 | 0 | 112.6 | R23 V27 A62 M63 | R23-E66 IonicContact CZ-OE1 3.11Å; R23-E66 IonicContact CZ-OE2 3.9Å; R23-E66 IonicContact NE-OE1 2.66Å; R23-E66 PolarHBondContact NE-OE1 3.41Å; R23-E66 PolarHBondContact NH2-O 2.99Å; R23-E66 IonicContact NH2-OE1 2.83Å; R23-E66 PolarHBondContact NH2-OE1 3.13Å; R23-E66 IonicContact NH2-OE2 2.89Å; R23-E66 PolarHBondContact NH2-OE2 3.21Å; V27-E66 HydrophobicContact CG2-CB 3.97Å; V27-E66 HydrophobicContact CG2-CG 3.69Å; A62-E66 VanDerWaalsContact O-CB 3.3Å; A62-E66 WeakPolarHBondContact O-CB 3.33Å; A62-E66 PolarHBondContact O-N 3.39Å; M63-E66 PolarHBondContact O-N 3.46Å |
| 67 | F | 92.2 | Very high | 93.3 | Very high | 11 Ų | 11 | 61.7 Ų | 61.7 | 5% | 0.048 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -94.9 | -18.3 | -177.6 | -66.7 | -74.8 | 0 | 0 | 0 | 113.5 | Y15 V20 R23 V24 M63 E65 F69 V89 | Y15-F67 HydrophobicContact CD1-CE1 4.5Å; Y15-F67 AromaticContact CE1-CD1 3.97Å; Y15-F67 HydrophobicContact CE1-CD1 3.97Å; Y15-F67 AromaticContact CE1-CE1 3.89Å; Y15-F67 HydrophobicContact CE1-CE1 3.89Å; Y15-F67 HydrophobicContact CE2-CD1 4.43Å; Y15-F67 AromaticContact CZ-CD1 3.77Å; V20-F67 HydrophobicContact CG1-CE1 4.45Å; V20-F67 HydrophobicContact CG1-CZ 4.32Å; R23-F67 HydrophobicContact CB-CE1 4.29Å; R23-F67 HydrophobicContact CB-CZ 3.93Å; V24-F67 HydrophobicContact CG2-CE2 3.76Å; V24-F67 HydrophobicContact CG2-CZ 3.75Å; M63-F67 VanDerWaalsContact O-CD2 3.31Å; M63-F67 WeakPolarHBondContact O-CD2 3.27Å; M63-F67 PolarHBondContact O-N 3.36Å; M63-F67 HydrophobicContact SD-CE2 4.07Å; E65-F67 PolarHBondContact O-N 3.03Å; F67-F69 HydrophobicContact CB-CD1 3.48Å; F67-F69 VanDerWaalsContact CB-CD1 3.48Å; F67-F69 HydrophobicContact CB-CE1 3.17Å; F67-F69 HydrophobicContact CB-CZ 4.01Å; F67-F69 HydrophobicContact CD2-CE1 4.31Å; F67-F69 AromaticContact CG-CE1 3.84Å; F67-F69 HydrophobicContact CG-CE1 3.84Å; F67-F69 HydrophobicContact CG-CZ 4.46Å; F67-V89 HydrophobicContact CD1-CG1 3.59Å; F67-V89 HydrophobicContact CD2-CG1 4.24Å; F67-V89 HydrophobicContact CD2-CG2 3.76Å; F67-V89 HydrophobicContact CE1-CG1 3.61Å; F67-V89 HydrophobicContact CE2-CG1 4.26Å; F67-V89 HydrophobicContact CE2-CG2 3.74Å; F67-V89 HydrophobicContact CG-CG1 3.95Å; F67-V89 HydrophobicContact CG-CG2 4.22Å; F67-V89 HydrophobicContact CZ-CG1 3.96Å; F67-V89 HydrophobicContact CZ-CG2 4.17Å |
| 68 | G | 90.4 | Very high | 93.3 | Very high | 67 Ų | 67 | 63.7 Ų | 63.7 | 69% | 0.691 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.2 | 35.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | E64 | E64-G68 VanDerWaalsContact O-CA 3.25Å; E64-G68 WeakPolarHBondContact O-CA 3.32Å; E64-G68 PolarHBondContact O-N 3.47Å |
| 69 | F | 90.4 | Very high | 93.3 | Very high | 23 Ų | 23 | 59.9 Ų | 59.9 | 10% | 0.101 | 34% | 0.337 | C | S | . | . | trans | -137.3 | 162.3 | 175.7 | 63.7 | -109.3 | 0 | 0 | 0 | 111.4 | E64 F67 I71 Y88 V89 K92 | E64-F69 WeakPolarHBondContact CA-O 3.36Å; E64-F69 WeakPolarHBondContact CB-O 3.49Å; E64-F69 VanDerWaalsContact CG-O 3.3Å; E64-F69 WeakPolarHBondContact CG-O 3.34Å; E64-F69 PolarHBondContact O-N 3.47Å; F67-F69 HydrophobicContact CB-CD1 3.48Å; F67-F69 VanDerWaalsContact CB-CD1 3.48Å; F67-F69 HydrophobicContact CB-CE1 3.17Å; F67-F69 HydrophobicContact CB-CZ 4.01Å; F67-F69 HydrophobicContact CD2-CE1 4.31Å; F67-F69 AromaticContact CG-CE1 3.84Å; F67-F69 HydrophobicContact CG-CE1 3.84Å; F67-F69 HydrophobicContact CG-CZ 4.46Å; F69-I71 HydrophobicContact CD2-CG1 3.91Å; F69-I71 HydrophobicContact CE2-CD1 3.74Å; F69-I71 HydrophobicContact CE2-CG1 3.42Å; F69-I71 VanDerWaalsContact CE2-CG1 3.42Å; F69-Y88 HydrophobicContact CD2-CE1 4.42Å; F69-Y88 HydrophobicContact CE2-CD1 4.11Å; F69-Y88 AromaticContact CE2-CE1 3.65Å; F69-Y88 HydrophobicContact CE2-CE1 3.65Å; F69-Y88 HydrophobicContact CZ-CD1 4.2Å; F69-Y88 HydrophobicContact CZ-CE1 4.15Å; F69-V89 HydrophobicContact CE1-CG1 4.31Å; F69-V89 HydrophobicContact CE1-CG2 4.15Å; F69-V89 HydrophobicContact CZ-CB 4.48Å; F69-V89 HydrophobicContact CZ-CG2 3.77Å; F69-K92 HydrophobicContact CD1-CG 4.09Å; F69-K92 HydrophobicContact CE1-CB 4.49Å; F69-K92 HydrophobicContact CE1-CG 4.33Å; F69-K92 HydrophobicContact CG-CG 4.21Å | ||
| 70 | E | 93.4 | Very high | 93.4 | Very high | 165 Ų | 165 | 62.8 Ų | 62.8 | 77% | 0.771 | 35% | 0.351 | S | S | * | . | trans | -96.4 | 139.5 | 174.8 | -64.2 | 175.4 | -179.1 | 0 | 0 | 111.3 | ||||
| 71 | I | 94 | Very high | 93.5 | Very high | 10 Ų | 10 | 63.1 Ų | 63.1 | 5% | 0.051 | 35% | 0.354 | C | S | . | . | trans | -107.7 | 116 | 175 | -61.6 | 172.3 | 0 | 0 | 0 | 107.6 | I60 M63 E64 F69 D75 L79 Y88 | I60-I71 HydrophobicContact CG2-CB 3.96Å; I60-I71 HydrophobicContact CG2-CD1 3.83Å; I60-I71 HydrophobicContact CG2-CG1 4.43Å; I60-I71 HydrophobicContact CG2-CG2 4.1Å; M63-I71 HydrophobicContact CB-CD1 4.45Å; E64-I71 HydrophobicContact CG-CB 4.15Å; E64-I71 HydrophobicContact CG-CD1 4Å; E64-I71 HydrophobicContact CG-CG1 3.86Å; E64-I71 WeakPolarHBondContact OE1-CA 3.3Å; E64-I71 PolarHBondContact OE1-N 3.35Å; F69-I71 HydrophobicContact CD2-CG1 3.91Å; F69-I71 HydrophobicContact CE2-CD1 3.74Å; F69-I71 HydrophobicContact CE2-CG1 3.42Å; F69-I71 VanDerWaalsContact CE2-CG1 3.42Å; I71-D75 HydrophobicContact CG2-CB 4.05Å; I71-L79 HydrophobicContact CD1-CD1 4.17Å; I71-L79 HydrophobicContact CG2-CD1 4.27Å; I71-Y88 HydrophobicContact CD1-CE1 4.28Å; I71-Y88 HydrophobicContact CG1-CD1 4.49Å; I71-Y88 HydrophobicContact CG1-CE1 3.77Å | ||
| 72 | P | 94.6 | Very high | 93.5 | Very high | 62 Ų | 62 | 58.5 Ų | 58.5 | 40% | 0.403 | 33% | 0.332 | S | S | . | . | trans | -56.1 | 142.2 | 173.5 | -24.1 | 34 | 0 | 0 | 0 | 111.2 | A74 D75 G76 | P72-A74 PolarHBondContact O-N 2.78Å; P72-A74 VanDerWaalsContact O-N 3.12Å; P72-D75 HydrophobicContact CB-CB 4.49Å; P72-D75 WeakPolarHBondContact O-CA 3.43Å; P72-D75 PolarHBondContact O-N 3.04Å; P72-G76 PolarHBondContact O-N 2.86Å | ||
| 73 | P | 91.5 | Very high | 93.6 | Very high | 107 Ų | 107 | 57.6 Ų | 57.6 | 70% | 0.695 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -52.6 | -39.8 | -179.6 | -29.5 | 35 | 0 | 0 | 0 | 113.6 | D75 G76 E77 | P73-D75 VanDerWaalsContact C-N 3.29Å; P73-D75 PolarHBondContact O-N 3.43Å; P73-G76 PolarHBondContact O-N 3.35Å; P73-E77 WeakPolarHBondContact O-CG 3.21Å; P73-E77 PolarHBondContact O-N 3.21Å |
| 74 | A | 93.2 | Very high | 93.7 | Very high | 63 Ų | 63 | 59.9 Ų | 59.9 | 52% | 0.521 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.2 | -32.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | P72 L78 | P72-A74 PolarHBondContact O-N 2.78Å; P72-A74 VanDerWaalsContact O-N 3.12Å; A74-L78 WeakPolarHBondContact O-CG 3.25Å |
| 75 | D | 94.1 | Very high | 93.7 | Very high | 62 Ų | 62 | 57.7 Ų | 57.7 | 33% | 0.332 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -78.7 | -40.3 | 175.1 | -71.1 | -8.8 | 0 | 0 | 0 | 110.1 | I71 P72 P73 E77 L78 L79 Y88 | I71-D75 HydrophobicContact CG2-CB 4.05Å; P72-D75 HydrophobicContact CB-CB 4.49Å; P72-D75 WeakPolarHBondContact O-CA 3.43Å; P72-D75 PolarHBondContact O-N 3.04Å; P73-D75 VanDerWaalsContact C-N 3.29Å; P73-D75 PolarHBondContact O-N 3.43Å; D75-E77 VanDerWaalsContact C-N 3.31Å; D75-E77 PolarHBondContact O-N 3.22Å; D75-L78 WeakPolarHBondContact O-CB 3.15Å; D75-L78 PolarHBondContact O-N 3.03Å; D75-L79 WeakPolarHBondContact O-CG 3.31Å; D75-L79 PolarHBondContact O-N 3.26Å; D75-Y88 HydrophobicContact CB-CE2 3.92Å |
| 76 | G | 93.1 | Very high | 93.8 | Very high | 6 Ų | 6 | 50 Ų | 50 | 6% | 0.062 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.8 | -39.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | P72 P73 L78 L79 | P72-G76 PolarHBondContact O-N 2.86Å; P73-G76 PolarHBondContact O-N 3.35Å; G76-L78 PolarHBondContact O-N 3.39Å; G76-L79 PolarHBondContact O-N 3Å; G76-L79 VanDerWaalsContact O-N 3.1Å |
| 77 | E | 92 | Very high | 93.8 | Very high | 133 Ų | 133 | 53.9 Ų | 53.9 | 62% | 0.621 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -24 | 173.9 | -75.3 | 175.9 | -164.4 | 0 | 0 | 113.2 | P73 D75 M80 | P73-E77 WeakPolarHBondContact O-CG 3.21Å; P73-E77 PolarHBondContact O-N 3.21Å; D75-E77 VanDerWaalsContact C-N 3.31Å; D75-E77 PolarHBondContact O-N 3.22Å; E77-M80 WeakPolarHBondContact O-CE 3.31Å |
| 78 | L | 93.3 | Very high | 93.9 | Very high | 125 Ų | 125 | 55.4 Ų | 55.4 | 65% | 0.654 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -11.7 | 178.6 | -59.6 | 174.1 | 0 | 0 | 0 | 112.9 | A74 D75 G76 M80 | A74-L78 WeakPolarHBondContact O-CG 3.25Å; D75-L78 WeakPolarHBondContact O-CB 3.15Å; D75-L78 PolarHBondContact O-N 3.03Å; G76-L78 PolarHBondContact O-N 3.39Å; L78-M80 PolarHBondContact O-N 3.45Å; L78-M80 VanDerWaalsContact O-N 3.14Å |
| 79 | L | 95.1 | Very high | 94 | Very high | 9 Ų | 9 | 52.2 Ų | 52.2 | 5% | 0.047 | 28% | 0.281 | C | S | . | . | trans | -85.7 | 84 | -178.9 | -60.2 | 178.8 | 0 | 0 | 0 | 110 | F45 Q56 I60 I71 D75 G76 D84 I85 Y88 | F45-L79 WeakPolarHBondContact CD2-O 3.45Å; Q56-L79 PolarHBondContact NE2-O 3.47Å; I60-L79 HydrophobicContact CD1-CB 3.93Å; I60-L79 HydrophobicContact CD1-CD1 3.69Å; I60-L79 HydrophobicContact CD1-CG 4.41Å; I71-L79 HydrophobicContact CD1-CD1 4.17Å; I71-L79 HydrophobicContact CG2-CD1 4.27Å; D75-L79 WeakPolarHBondContact O-CG 3.31Å; D75-L79 PolarHBondContact O-N 3.26Å; G76-L79 PolarHBondContact O-N 3Å; G76-L79 VanDerWaalsContact O-N 3.1Å; L79-D84 HydrophobicContact CD2-CB 3.97Å; L79-I85 HydrophobicContact CB-CG1 4.12Å; L79-I85 HydrophobicContact CD1-CG1 4.33Å; L79-Y88 HydrophobicContact CD1-CG 4.39Å; L79-Y88 HydrophobicContact CD2-CD2 4.31Å; L79-Y88 HydrophobicContact CD2-CG 4.23Å | ||
| 80 | M | 94.4 | Very high | 94.1 | Very high | 63 Ų | 63 | 51.3 Ų | 51.3 | 31% | 0.31 | 28% | 0.277 | S | S | . | . | trans | -96.6 | -16.3 | -174.4 | -64.7 | -58.2 | -170.9 | 0 | 0 | 114.2 | H44 F45 Q56 E77 L78 | H44-M80 WeakPolarHBondContact CA-O 3.29Å; F45-M80 WeakPolarHBondContact CD2-O 3.24Å; F45-M80 PolarHBondContact N-O 2.84Å; Q56-M80 PolarHBondContact NE2-SD 3.22Å; Q56-M80 VanDerWaalsContact NE2-SD 3.38Å; E77-M80 WeakPolarHBondContact O-CE 3.31Å; L78-M80 PolarHBondContact O-N 3.45Å; L78-M80 VanDerWaalsContact O-N 3.14Å | ||
| 81 | T | 96 | Very high | 94 | Very high | 22 Ų | 22 | 52.7 Ų | 52.7 | 14% | 0.135 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -133 | 156.6 | 179.9 | 70.4 | 0 | 0 | 0 | 0 | 111.5 | G83 D84 I85 | T81-G83 PolarHBondContact O-N 2.9Å; T81-D84 WeakPolarHBondContact CB-OD2 3.48Å; T81-D84 PolarHBondContact N-OD2 3.05Å; T81-D84 WeakPolarHBondContact O-CB 3.46Å; T81-D84 PolarHBondContact O-N 2.89Å; T81-D84 PolarHBondContact OG1-N 3.24Å; T81-D84 PolarHBondContact OG1-OD2 2.94Å; T81-I85 PolarHBondContact O-N 2.83Å |
| 82 | P | 95.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.2 | -32.6 | 172.9 | -24.3 | 34.2 | 0 | 0 | 0 | 112.4 | V24 L25 L28 L39 T40 L41 S43 F45 D84 I85 V86 | V24-P82 HydrophobicContact CG1-CB 4.46Å; L25-P82 HydrophobicContact CD2-CB 4.44Å; L28-P82 HydrophobicContact CD1-CB 3.56Å; L28-P82 HydrophobicContact CD1-CG 3.6Å; L39-P82 HydrophobicContact CD1-CG 3.79Å; T40-P82 WeakPolarHBondContact O-CG 3.47Å; L41-P82 HydrophobicContact CD2-CB 4.19Å; S43-P82 WeakPolarHBondContact O-CD 3.43Å; F45-P82 HydrophobicContact CE1-CG 3.84Å; F45-P82 HydrophobicContact CZ-CG 3.94Å; P82-D84 VanDerWaalsContact C-N 3.32Å; P82-D84 PolarHBondContact O-N 3.43Å; P82-I85 PolarHBondContact O-N 3.14Å; P82-V86 WeakPolarHBondContact O-CG2 3.39Å; P82-V86 PolarHBondContact O-N 3.39Å |
| 83 | G | 96.2 | Very high | 93.4 | Very high | 12 Ų | 12 | 57.3 Ų | 57.3 | 12% | 0.124 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.7 | -34.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | L41 T81 K87 | L41-G83 WeakPolarHBondContact O-CA 3.39Å; L41-G83 PolarHBondContact O-N 3.31Å; T81-G83 PolarHBondContact O-N 2.9Å; G83-K87 VanDerWaalsContact O-CG 3.3Å; G83-K87 WeakPolarHBondContact O-CG 3.35Å; G83-K87 PolarHBondContact O-N 2.79Å |
| 84 | D | 96 | Very high | 93.2 | Very high | 49 Ų | 49 | 57.7 Ų | 57.7 | 26% | 0.262 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -68.9 | -41.9 | 175.5 | -59.7 | -40.7 | 0 | 0 | 0 | 111 | L79 T81 P82 K87 Y88 | L79-D84 HydrophobicContact CD2-CB 3.97Å; T81-D84 WeakPolarHBondContact CB-OD2 3.48Å; T81-D84 PolarHBondContact N-OD2 3.05Å; T81-D84 WeakPolarHBondContact O-CB 3.46Å; T81-D84 PolarHBondContact O-N 2.89Å; T81-D84 PolarHBondContact OG1-N 3.24Å; T81-D84 PolarHBondContact OG1-OD2 2.94Å; P82-D84 VanDerWaalsContact C-N 3.32Å; P82-D84 PolarHBondContact O-N 3.43Å; D84-K87 PolarHBondContact O-N 3Å; D84-Y88 WeakPolarHBondContact O-CB 3.46Å; D84-Y88 PolarHBondContact O-N 3.2Å |
| 85 | I | 95.2 | Very high | 92.7 | Very high | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.9 | -48.2 | 174.3 | -60.3 | 178.7 | 0 | 0 | 0 | 110.4 | V24 F45 V59 I60 M63 L79 T81 P82 K87 Y88 V89 | V24-I85 HydrophobicContact CG1-CB 4.09Å; V24-I85 HydrophobicContact CG1-CG2 3.87Å; V24-I85 HydrophobicContact CG2-CG2 3.8Å; F45-I85 HydrophobicContact CE2-CD1 3.75Å; F45-I85 HydrophobicContact CE2-CG1 4.35Å; F45-I85 HydrophobicContact CZ-CD1 3.55Å; F45-I85 HydrophobicContact CZ-CG1 4.42Å; V59-I85 HydrophobicContact CG1-CD1 4.12Å; I60-I85 HydrophobicContact CD1-CD1 4.46Å; M63-I85 HydrophobicContact CB-CG2 4.5Å; M63-I85 HydrophobicContact CE-CD1 4.39Å; M63-I85 HydrophobicContact CG-CD1 4.17Å; M63-I85 HydrophobicContact CG-CG2 3.82Å; M63-I85 HydrophobicContact SD-CG2 3.8Å; L79-I85 HydrophobicContact CB-CG1 4.12Å; L79-I85 HydrophobicContact CD1-CG1 4.33Å; T81-I85 PolarHBondContact O-N 2.83Å; P82-I85 PolarHBondContact O-N 3.14Å; I85-K87 VanDerWaalsContact C-N 3.34Å; I85-K87 PolarHBondContact O-N 3.47Å; I85-Y88 PolarHBondContact O-N 2.97Å; I85-Y88 VanDerWaalsContact O-N 3.15Å; I85-V89 HydrophobicContact CG2-CG2 4.17Å; I85-V89 VanDerWaalsContact O-CG2 3.27Å; I85-V89 WeakPolarHBondContact O-CG2 3.3Å; I85-V89 PolarHBondContact O-N 3.44Å |
| 86 | V | 95.5 | Very high | 91.7 | Very high | 11 Ų | 11 | 60 Ų | 60 | 7% | 0.067 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -56.8 | -48.7 | 177.6 | 170.4 | 0 | 0 | 0 | 0 | 110.7 | V20 R21 V24 L41 P82 Y88 V89 C90 | V20-V86 HydrophobicContact CG1-CB 4.47Å; V20-V86 HydrophobicContact CG1-CG1 4.12Å; R21-V86 HydrophobicContact CB-CG1 4.5Å; R21-V86 HydrophobicContact CB-CG2 4.38Å; V24-V86 HydrophobicContact CB-CG2 3.87Å; V24-V86 HydrophobicContact CG1-CG2 4.02Å; V24-V86 HydrophobicContact CG2-CG2 3.86Å; L41-V86 HydrophobicContact CD2-CG2 4.25Å; P82-V86 WeakPolarHBondContact O-CG2 3.39Å; P82-V86 PolarHBondContact O-N 3.39Å; V86-Y88 VanDerWaalsContact C-N 3.31Å; V86-Y88 PolarHBondContact O-N 2.77Å; V86-V89 PolarHBondContact O-N 2.89Å; V86-C90 WeakPolarHBondContact O-CB 3.49Å; V86-C90 PolarHBondContact O-N 2.83Å; V86-C90 PolarHBondContact O-SG 2.66Å |
| 87 | K | 94.4 | Very high | 90.3 | Very high | 131 Ų | 131 | 71.2 Ų | 71.2 | 57% | 0.57 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -60.8 | -41.2 | 177.7 | -72.5 | 169.9 | -173.9 | 168.1 | 0 | 112 | G83 D84 I85 R91 | G83-K87 VanDerWaalsContact O-CG 3.3Å; G83-K87 WeakPolarHBondContact O-CG 3.35Å; G83-K87 PolarHBondContact O-N 2.79Å; D84-K87 PolarHBondContact O-N 3Å; I85-K87 VanDerWaalsContact C-N 3.34Å; I85-K87 PolarHBondContact O-N 3.47Å; K87-R91 WeakPolarHBondContact O-CB 3.3Å; K87-R91 VanDerWaalsContact O-CG 3.3Å; K87-R91 WeakPolarHBondContact O-CG 3.48Å; K87-R91 PolarHBondContact O-N 3.08Å |
| 88 | Y | 94.7 | Very high | 90.3 | Very high | 42 Ų | 42 | 68.2 Ų | 68.2 | 17% | 0.165 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.2 | -49.7 | 179 | -175.6 | -85.8 | 0 | 0 | 0 | 111.3 | F69 I71 D75 L79 D84 I85 V86 C90 R91 K92 | F69-Y88 HydrophobicContact CD2-CE1 4.42Å; F69-Y88 HydrophobicContact CE2-CD1 4.11Å; F69-Y88 AromaticContact CE2-CE1 3.65Å; F69-Y88 HydrophobicContact CE2-CE1 3.65Å; F69-Y88 HydrophobicContact CZ-CD1 4.2Å; F69-Y88 HydrophobicContact CZ-CE1 4.15Å; I71-Y88 HydrophobicContact CD1-CE1 4.28Å; I71-Y88 HydrophobicContact CG1-CD1 4.49Å; I71-Y88 HydrophobicContact CG1-CE1 3.77Å; D75-Y88 HydrophobicContact CB-CE2 3.92Å; L79-Y88 HydrophobicContact CD1-CG 4.39Å; L79-Y88 HydrophobicContact CD2-CD2 4.31Å; L79-Y88 HydrophobicContact CD2-CG 4.23Å; D84-Y88 WeakPolarHBondContact O-CB 3.46Å; D84-Y88 PolarHBondContact O-N 3.2Å; I85-Y88 PolarHBondContact O-N 2.97Å; I85-Y88 VanDerWaalsContact O-N 3.15Å; V86-Y88 VanDerWaalsContact C-N 3.31Å; V86-Y88 PolarHBondContact O-N 2.77Å; Y88-C90 PolarHBondContact O-N 3.1Å; Y88-R91 PolarHBondContact O-N 3.1Å; Y88-K92 PolarHBondContact O-N 3.37Å |
| 89 | V | 92.7 | Very high | 90.1 | Very high | 1 Ų | 1 | 65.2 Ų | 65.2 | 1% | 0.006 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.2 | -46.8 | 176.9 | 175.1 | 0 | 0 | 0 | 0 | 110.8 | V20 V24 F67 F69 I85 V86 R91 K92 E93 | V20-V89 HydrophobicContact CB-CG1 4.4Å; V20-V89 HydrophobicContact CG1-CB 3.66Å; V20-V89 HydrophobicContact CG1-CG1 3.49Å; V20-V89 VanDerWaalsContact CG1-CG1 3.49Å; V20-V89 HydrophobicContact CG1-CG2 4.44Å; V20-V89 HydrophobicContact CG2-CG1 4.01Å; V24-V89 HydrophobicContact CG2-CG2 4.49Å; F67-V89 HydrophobicContact CD1-CG1 3.59Å; F67-V89 HydrophobicContact CD2-CG1 4.24Å; F67-V89 HydrophobicContact CD2-CG2 3.76Å; F67-V89 HydrophobicContact CE1-CG1 3.61Å; F67-V89 HydrophobicContact CE2-CG1 4.26Å; F67-V89 HydrophobicContact CE2-CG2 3.74Å; F67-V89 HydrophobicContact CG-CG1 3.95Å; F67-V89 HydrophobicContact CG-CG2 4.22Å; F67-V89 HydrophobicContact CZ-CG1 3.96Å; F67-V89 HydrophobicContact CZ-CG2 4.17Å; F69-V89 HydrophobicContact CE1-CG1 4.31Å; F69-V89 HydrophobicContact CE1-CG2 4.15Å; F69-V89 HydrophobicContact CZ-CB 4.48Å; F69-V89 HydrophobicContact CZ-CG2 3.77Å; I85-V89 HydrophobicContact CG2-CG2 4.17Å; I85-V89 VanDerWaalsContact O-CG2 3.27Å; I85-V89 WeakPolarHBondContact O-CG2 3.3Å; I85-V89 PolarHBondContact O-N 3.44Å; V86-V89 PolarHBondContact O-N 2.89Å; V89-R91 VanDerWaalsContact C-N 3.31Å; V89-R91 PolarHBondContact O-N 2.85Å; V89-K92 WeakPolarHBondContact O-CB 3.42Å; V89-K92 PolarHBondContact O-N 3.24Å; V89-E93 HydrophobicContact CG1-CG 4.23Å; V89-E93 WeakPolarHBondContact O-CB 3.32Å; V89-E93 PolarHBondContact O-N 3.07Å |
| 90 | C | 91.9 | Very high | 89.8 | Confident | 4 Ų | 4 | 68.3 Ų | 68.3 | 3% | 0.027 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.9 | -40.4 | 178.9 | -70.2 | 0 | 0 | 0 | 0 | 112.3 | M17 V86 Y88 K92 D94 V95 | M17-C90 HydrophobicContact CE-CB 4.31Å; M17-C90 HydrophobicContact SD-CB 3.75Å; M17-C90 PolarHBondContact SD-SG 2.94Å; V86-C90 WeakPolarHBondContact O-CB 3.49Å; V86-C90 PolarHBondContact O-N 2.83Å; V86-C90 PolarHBondContact O-SG 2.66Å; Y88-C90 PolarHBondContact O-N 3.1Å; C90-K92 VanDerWaalsContact C-N 3.32Å; C90-K92 PolarHBondContact O-N 2.87Å; C90-D94 PolarHBondContact O-N 3.14Å; C90-D94 VanDerWaalsContact O-N 3.14Å; C90-V95 HydrophobicContact CB-CB 4.11Å; C90-V95 PolarHBondContact O-N 3.16Å |
| 91 | R | 91.4 | Very high | 89.5 | Confident | 194 Ų | 194 | 68.6 Ų | 68.6 | 73% | 0.732 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -66.4 | -33.6 | 173.8 | -73.6 | 177.6 | 68.1 | 164.7 | 1.3 | 112.8 | K87 Y88 V89 | K87-R91 WeakPolarHBondContact O-CB 3.3Å; K87-R91 VanDerWaalsContact O-CG 3.3Å; K87-R91 WeakPolarHBondContact O-CG 3.48Å; K87-R91 PolarHBondContact O-N 3.08Å; Y88-R91 PolarHBondContact O-N 3.1Å; V89-R91 VanDerWaalsContact C-N 3.31Å; V89-R91 PolarHBondContact O-N 2.85Å |
| 92 | K | 89.1 | Confident | 89.1 | Confident | 112 Ų | 112 | 71.5 Ų | 71.5 | 49% | 0.487 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -73.3 | -37.1 | 179.7 | -166 | 68.7 | 173.2 | -164.5 | 0 | 112.2 | F69 Y88 V89 C90 | F69-K92 HydrophobicContact CD1-CG 4.09Å; F69-K92 HydrophobicContact CE1-CB 4.49Å; F69-K92 HydrophobicContact CE1-CG 4.33Å; F69-K92 HydrophobicContact CG-CG 4.21Å; Y88-K92 PolarHBondContact O-N 3.37Å; V89-K92 WeakPolarHBondContact O-CB 3.42Å; V89-K92 PolarHBondContact O-N 3.24Å; C90-K92 VanDerWaalsContact C-N 3.32Å; C90-K92 PolarHBondContact O-N 2.87Å |
| 93 | E | 86.9 | Confident | 88.7 | Confident | 57 Ų | 57 | 76.3 Ų | 76.3 | 27% | 0.266 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 8.9 | -178 | -65.7 | -65.3 | 146.9 | 0 | 0 | 113.2 | Y15 V89 V95 | Y15-E93 HydrophobicContact CD2-CB 3.92Å; Y15-E93 HydrophobicContact CD2-CG 3.56Å; Y15-E93 WeakPolarHBondContact CD2-OE2 3.42Å; Y15-E93 HydrophobicContact CE2-CG 3.84Å; Y15-E93 WeakPolarHBondContact CE2-OE2 3.4Å; Y15-E93 HydrophobicContact CG-CG 4.45Å; V89-E93 HydrophobicContact CG1-CG 4.23Å; V89-E93 WeakPolarHBondContact O-CB 3.32Å; V89-E93 PolarHBondContact O-N 3.07Å; E93-V95 HydrophobicContact CB-CG2 3.83Å; E93-V95 PolarHBondContact O-N 3.12Å |
| 94 | D | 86.4 | Confident | 88.2 | Confident | 115 Ų | 115 | 80.9 Ų | 80.9 | 62% | 0.615 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 38.7 | -177.1 | -75.7 | -47 | 0 | 0 | 0 | 113.6 | C90 Y96 | C90-D94 PolarHBondContact O-N 3.14Å; C90-D94 VanDerWaalsContact O-N 3.14Å; D94-Y96 HydrophobicContact CB-CE2 3.86Å; D94-Y96 VanDerWaalsContact O-CD2 3.29Å; D94-Y96 WeakPolarHBondContact O-CD2 3.24Å; D94-Y96 WeakPolarHBondContact O-CE2 3.47Å; D94-Y96 PolarHBondContact OD1-OH 3.38Å |
| 95 | V | 82.6 | Confident | 87.6 | Confident | 17 Ų | 17 | 83.3 Ų | 83.3 | 10% | 0.103 | 37% | 0.368 | C | S | . | . | trans | -92.2 | 110 | 174.9 | -173.3 | 0 | 0 | 0 | 0 | 108.8 | Y15 M17 C90 E93 | Y15-V95 WeakPolarHBondContact O-CG2 3.42Å; M17-V95 HydrophobicContact CG-CG1 3.95Å; M17-V95 HydrophobicContact SD-CB 4.41Å; M17-V95 HydrophobicContact SD-CG1 3.74Å; C90-V95 HydrophobicContact CB-CB 4.11Å; C90-V95 PolarHBondContact O-N 3.16Å; E93-V95 HydrophobicContact CB-CG2 3.83Å; E93-V95 PolarHBondContact O-N 3.12Å | ||
| 96 | Y | 74.3 | Confident | 87 | Confident | 156 Ų | 156 | 90.2 Ų | 90.2 | 61% | 0.612 | 40% | 0.398 | S | S | * | . | trans | -116 | 155.2 | 175.3 | -53.4 | -84.6 | 0 | 0 | 0 | 109.1 | D94 | D94-Y96 HydrophobicContact CB-CE2 3.86Å; D94-Y96 VanDerWaalsContact O-CD2 3.29Å; D94-Y96 WeakPolarHBondContact O-CD2 3.24Å; D94-Y96 WeakPolarHBondContact O-CE2 3.47Å; D94-Y96 PolarHBondContact OD1-OH 3.38Å | ||
| 97 | E | 63.9 | Low | 86.2 | Confident | 242 Ų | 242 | 97.4 Ų | 97.4 | 100% | 1.131 | 43% | 0.428 | S | S | * | . | trans | -63.7 | 0 | 175 | -70.9 | -176.2 | 171.1 | 0 | 0 | 113 | M17 | M17-E97 HydrophobicContact CG-CG 4.25Š|
Retrieved 97 of 97 residues in 115.9 ms
(Link to these results)