| 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 | 73.3 | Confident | 91.8 | Very high | 227 Ų | 227 | 110.6 Ų | 110.6 | 100% | 1.118 | 59% | 0.589 | S | S | * | * | 0 | 132.7 | 0 | -84 | 168.7 | 139 | 0 | 0 | 108.2 | |||||
| 2 | S | 91.6 | Very high | 92 | Very high | 55 Ų | 55 | 111.6 Ų | 111.6 | 39% | 0.385 | 58% | 0.584 | S | S | . | * | trans | -74.5 | 142.2 | 176.4 | 64.1 | 0 | 0 | 0 | 0 | 109.8 | Q4 T5 | S2-Q4 PolarHBondContact O-N 3.43Å; S2-Q4 VanDerWaalsContact O-N 3.12Å; S2-T5 PolarHBondContact O-N 3.26Å; S2-T5 VanDerWaalsContact O-N 3.12Å; S2-T5 PolarHBondContact OG-OG1 3.12Å; S2-T5 VanDerWaalsContact OG-OG1 3.05Å | ||
| 3 | P | 92.2 | Very high | 92 | Very high | 111 Ų | 111 | 108.5 Ų | 108.5 | 72% | 0.721 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -59.7 | -23.4 | 178.8 | 23.2 | -33.5 | 0 | 0 | 0 | 112.6 | F6 C7 | P3-F6 PolarHBondContact O-N 3.07Å; P3-C7 PolarHBondContact O-N 3.39Å |
| 4 | Q | 93.5 | Very high | 92.1 | Very high | 144 Ų | 144 | 107.2 Ų | 107.2 | 67% | 0.673 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -63.9 | -43.7 | 175.6 | -67.2 | 177.6 | -13.1 | 0 | 0 | 112.4 | S2 F6 C7 I8 | S2-Q4 PolarHBondContact O-N 3.43Å; S2-Q4 VanDerWaalsContact O-N 3.12Å; Q4-F6 VanDerWaalsContact C-N 3.28Å; Q4-F6 PolarHBondContact O-N 3.12Å; Q4-C7 PolarHBondContact O-N 2.98Å; Q4-I8 WeakPolarHBondContact O-CG1 3.33Å; Q4-I8 PolarHBondContact O-N 3.4Å |
| 5 | T | 93.9 | Very high | 92.1 | Very high | 68 Ų | 68 | 104.3 Ų | 104.3 | 42% | 0.417 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62.4 | -38.6 | 179.1 | -51.5 | 0 | 0 | 0 | 0 | 111.3 | S2 I8 L9 | S2-T5 PolarHBondContact O-N 3.26Å; S2-T5 VanDerWaalsContact O-N 3.12Å; S2-T5 PolarHBondContact OG-OG1 3.12Å; S2-T5 VanDerWaalsContact OG-OG1 3.05Å; T5-I8 PolarHBondContact O-N 3.48Å; T5-L9 HydrophobicContact CG2-CD1 4.29Å; T5-L9 WeakPolarHBondContact O-CG 3.4Å; T5-L9 PolarHBondContact O-N 3.32Å; T5-L9 VanDerWaalsContact O-N 3.12Å |
| 6 | F | 93.8 | Very high | 92 | Very high | 142 Ų | 142 | 103.4 Ų | 103.4 | 62% | 0.623 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64.3 | -41.9 | 178 | -176 | -104.3 | 0 | 0 | 0 | 112.3 | P3 Q4 L9 L10 | P3-F6 PolarHBondContact O-N 3.07Å; Q4-F6 VanDerWaalsContact C-N 3.28Å; Q4-F6 PolarHBondContact O-N 3.12Å; F6-L9 PolarHBondContact O-N 3.4Å; F6-L10 HydrophobicContact CD1-CD1 3.91Å; F6-L10 HydrophobicContact CE1-CD1 3.31Å; F6-L10 HydrophobicContact CE1-CG 4.5Å; F6-L10 HydrophobicContact CZ-CD1 3.65Å; F6-L10 PolarHBondContact O-N 3.08Å; F6-L10 VanDerWaalsContact O-N 3.07Å |
| 7 | C | 95.2 | Very high | 92 | Very high | 69 Ų | 69 | 104.8 Ų | 104.8 | 47% | 0.466 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63.2 | -42.9 | 177.6 | -170.6 | 0 | 0 | 0 | 0 | 112.4 | P3 Q4 L9 L10 I11 | P3-C7 PolarHBondContact O-N 3.39Å; Q4-C7 PolarHBondContact O-N 2.98Å; C7-L9 PolarHBondContact O-N 3.49Å; C7-L10 PolarHBondContact O-N 3.12Å; C7-I11 WeakPolarHBondContact O-CG1 3.45Å; C7-I11 PolarHBondContact O-N 3.37Å; C7-I11 VanDerWaalsContact O-N 3.08Å |
| 8 | I | 95 | Very high | 92 | Very high | 116 Ų | 116 | 107.1 Ų | 107.1 | 60% | 0.595 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63.9 | -42.7 | 178.4 | -64.7 | 166.9 | 0 | 0 | 0 | 110.9 | Q4 T5 L10 I11 F12 | Q4-I8 WeakPolarHBondContact O-CG1 3.33Å; Q4-I8 PolarHBondContact O-N 3.4Å; T5-I8 PolarHBondContact O-N 3.48Å; I8-L10 PolarHBondContact O-N 2.99Å; I8-I11 PolarHBondContact O-N 3.05Å; I8-F12 WeakPolarHBondContact O-CB 3.47Å; I8-F12 PolarHBondContact O-N 3.49Å |
| 9 | L | 94.1 | Very high | 92 | Very high | 94 Ų | 94 | 105.3 Ų | 105.3 | 49% | 0.492 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -61.9 | -42.9 | 176.9 | -72.7 | 171.1 | 0 | 0 | 0 | 111.8 | T5 F6 C7 F12 S13 | T5-L9 HydrophobicContact CG2-CD1 4.29Å; T5-L9 WeakPolarHBondContact O-CG 3.4Å; T5-L9 PolarHBondContact O-N 3.32Å; T5-L9 VanDerWaalsContact O-N 3.12Å; F6-L9 PolarHBondContact O-N 3.4Å; C7-L9 PolarHBondContact O-N 3.49Å; L9-F12 PolarHBondContact O-N 3.3Å; L9-S13 PolarHBondContact O-N 3.39Å; L9-S13 PolarHBondContact O-OG 3.49Å |
| 10 | L | 93.5 | Very high | 92 | Very high | 82 Ų | 82 | 104 Ų | 104 | 43% | 0.429 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -61.1 | -45.7 | 177 | -106.7 | 160.1 | 0 | 0 | 0 | 112.7 | F6 C7 I8 F12 S13 L14 | F6-L10 HydrophobicContact CD1-CD1 3.91Å; F6-L10 HydrophobicContact CE1-CD1 3.31Å; F6-L10 HydrophobicContact CE1-CG 4.5Å; F6-L10 HydrophobicContact CZ-CD1 3.65Å; F6-L10 PolarHBondContact O-N 3.08Å; F6-L10 VanDerWaalsContact O-N 3.07Å; C7-L10 PolarHBondContact O-N 3.12Å; I8-L10 PolarHBondContact O-N 2.99Å; L10-F12 VanDerWaalsContact C-N 3.32Å; L10-F12 PolarHBondContact O-N 3.45Å; L10-S13 PolarHBondContact O-N 3.18Å; L10-L14 WeakPolarHBondContact O-CB 3.42Å; L10-L14 WeakPolarHBondContact O-CG 3.47Å; L10-L14 PolarHBondContact O-N 3.26Å |
| 11 | I | 94.3 | Very high | 92 | Very high | 109 Ų | 109 | 103.9 Ų | 103.9 | 56% | 0.559 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -63 | -42 | 177.3 | -66.7 | 167.7 | 0 | 0 | 0 | 110.5 | C7 I8 L14 S15 | C7-I11 WeakPolarHBondContact O-CG1 3.45Å; C7-I11 PolarHBondContact O-N 3.37Å; C7-I11 VanDerWaalsContact O-N 3.08Å; I8-I11 PolarHBondContact O-N 3.05Å; I11-L14 PolarHBondContact O-N 3.43Å; I11-S15 VanDerWaalsContact O-CB 3.31Å; I11-S15 WeakPolarHBondContact O-CB 3.37Å; I11-S15 PolarHBondContact O-N 3.3Å |
| 12 | F | 94.3 | Very high | 92.9 | Very high | 122 Ų | 122 | 97.8 Ų | 97.8 | 54% | 0.535 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.9 | -45.4 | 178 | -174.3 | -106.6 | 0 | 0 | 0 | 111.7 | I8 L9 L10 L14 S15 L16 | I8-F12 WeakPolarHBondContact O-CB 3.47Å; I8-F12 PolarHBondContact O-N 3.49Å; L9-F12 PolarHBondContact O-N 3.3Å; L10-F12 VanDerWaalsContact C-N 3.32Å; L10-F12 PolarHBondContact O-N 3.45Å; F12-L14 PolarHBondContact O-N 3.15Å; F12-S15 WeakPolarHBondContact O-CB 3.41Å; F12-S15 PolarHBondContact O-N 3.04Å; F12-L16 HydrophobicContact CD1-CD1 3.75Å; F12-L16 HydrophobicContact CD1-CG 4.27Å; F12-L16 HydrophobicContact CE1-CD1 3.3Å; F12-L16 HydrophobicContact CE1-CD2 4.48Å; F12-L16 HydrophobicContact CE1-CG 3.96Å; F12-L16 HydrophobicContact CE2-CG 4.48Å; F12-L16 HydrophobicContact CZ-CD1 3.81Å; F12-L16 HydrophobicContact CZ-CD2 4.14Å; F12-L16 HydrophobicContact CZ-CG 4.06Å; F12-L16 WeakPolarHBondContact O-CG 3.42Å; F12-L16 PolarHBondContact O-N 3.49Å |
| 13 | S | 92 | Very high | 93 | Very high | 71 Ų | 71 | 99.3 Ų | 99.3 | 50% | 0.497 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -59.8 | -45.9 | 175.4 | -66.2 | 0 | 0 | 0 | 0 | 112.3 | L9 L10 S15 L16 E17 | L9-S13 PolarHBondContact O-N 3.39Å; L9-S13 PolarHBondContact O-OG 3.49Å; L10-S13 PolarHBondContact O-N 3.18Å; S13-S15 VanDerWaalsContact C-N 3.29Å; S13-S15 PolarHBondContact O-N 2.89Å; S13-L16 PolarHBondContact O-N 3.19Å; S13-E17 PolarHBondContact O-N 2.91Å |
| 14 | L | 92.4 | Very high | 93.1 | Very high | 91 Ų | 91 | 101.7 Ų | 101.7 | 48% | 0.476 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.4 | -33.8 | 176.5 | -72.2 | 168.6 | 0 | 0 | 0 | 112.5 | L10 I11 F12 K18 | L10-L14 WeakPolarHBondContact O-CB 3.42Å; L10-L14 WeakPolarHBondContact O-CG 3.47Å; L10-L14 PolarHBondContact O-N 3.26Å; I11-L14 PolarHBondContact O-N 3.43Å; F12-L14 PolarHBondContact O-N 3.15Å; L14-K18 WeakPolarHBondContact O-CG 3.41Å; L14-K18 PolarHBondContact O-N 3.13Å |
| 15 | S | 92 | Very high | 93.1 | Very high | 64 Ų | 64 | 99.3 Ų | 99.3 | 45% | 0.448 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -70.4 | -40.7 | 176.2 | -168.2 | 0 | 0 | 0 | 0 | 112 | I11 F12 S13 K18 T19 | I11-S15 VanDerWaalsContact O-CB 3.31Å; I11-S15 WeakPolarHBondContact O-CB 3.37Å; I11-S15 PolarHBondContact O-N 3.3Å; F12-S15 WeakPolarHBondContact O-CB 3.41Å; F12-S15 PolarHBondContact O-N 3.04Å; S13-S15 VanDerWaalsContact C-N 3.29Å; S13-S15 PolarHBondContact O-N 2.89Å; S15-K18 PolarHBondContact O-N 3.3Å; S15-T19 WeakPolarHBondContact O-CB 3.31Å; S15-T19 PolarHBondContact O-N 2.9Å; S15-T19 PolarHBondContact O-OG1 3.3Å |
| 16 | L | 90.5 | Very high | 93.1 | Very high | 90 Ų | 90 | 101.1 Ų | 101.1 | 47% | 0.471 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.1 | -41 | 175.8 | -75.1 | 178.9 | 0 | 0 | 0 | 111.9 | F12 S13 T19 S20 | F12-L16 HydrophobicContact CD1-CD1 3.75Å; F12-L16 HydrophobicContact CD1-CG 4.27Å; F12-L16 HydrophobicContact CE1-CD1 3.3Å; F12-L16 HydrophobicContact CE1-CD2 4.48Å; F12-L16 HydrophobicContact CE1-CG 3.96Å; F12-L16 HydrophobicContact CE2-CG 4.48Å; F12-L16 HydrophobicContact CZ-CD1 3.81Å; F12-L16 HydrophobicContact CZ-CD2 4.14Å; F12-L16 HydrophobicContact CZ-CG 4.06Å; F12-L16 WeakPolarHBondContact O-CG 3.42Å; F12-L16 PolarHBondContact O-N 3.49Å; S13-L16 PolarHBondContact O-N 3.19Å; L16-T19 PolarHBondContact O-N 2.79Å; L16-S20 WeakPolarHBondContact O-CB 3.49Å; L16-S20 PolarHBondContact O-N 3.04Å |
| 17 | E | 92.6 | Very high | 93.1 | Very high | 126 Ų | 126 | 99.8 Ų | 99.8 | 59% | 0.589 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.6 | -45.5 | 178.7 | -168.8 | 175.6 | 170.6 | 0 | 0 | 111.8 | S13 T19 S20 L21 | S13-E17 PolarHBondContact O-N 2.91Å; E17-T19 VanDerWaalsContact C-N 3.34Å; E17-T19 PolarHBondContact O-N 3.48Å; E17-S20 PolarHBondContact O-N 3.45Å; E17-L21 PolarHBondContact O-N 2.89Å; E17-L21 VanDerWaalsContact O-N 3.13Å |
| 18 | K | 92.2 | Very high | 93 | Very high | 147 Ų | 147 | 99.5 Ų | 99.5 | 64% | 0.639 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.7 | -43 | 174.7 | -71.3 | 177.2 | -177 | 179 | 0 | 112.2 | L14 S15 S20 L21 I22 | L14-K18 WeakPolarHBondContact O-CG 3.41Å; L14-K18 PolarHBondContact O-N 3.13Å; S15-K18 PolarHBondContact O-N 3.3Å; K18-S20 VanDerWaalsContact C-N 3.35Å; K18-L21 PolarHBondContact O-N 3.29Å; K18-I22 WeakPolarHBondContact O-CG1 3.39Å; K18-I22 PolarHBondContact O-N 3.21Å |
| 19 | T | 91.9 | Very high | 92.9 | Very high | 72 Ų | 72 | 99 Ų | 99 | 44% | 0.442 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.6 | -40.3 | 179.6 | -52.7 | 0 | 0 | 0 | 0 | 111 | S15 L16 E17 L21 I22 V23 | S15-T19 WeakPolarHBondContact O-CB 3.31Å; S15-T19 PolarHBondContact O-N 2.9Å; S15-T19 PolarHBondContact O-OG1 3.3Å; L16-T19 PolarHBondContact O-N 2.79Å; E17-T19 VanDerWaalsContact C-N 3.34Å; E17-T19 PolarHBondContact O-N 3.48Å; T19-L21 PolarHBondContact O-N 3.24Å; T19-I22 PolarHBondContact O-N 3.2Å; T19-V23 HydrophobicContact CG2-CG2 4.5Å; T19-V23 WeakPolarHBondContact O-CG2 3.48Å; T19-V23 PolarHBondContact O-N 3.44Å |
| 20 | S | 92.3 | Very high | 92.9 | Very high | 80 Ų | 80 | 99.9 Ų | 99.9 | 56% | 0.559 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.4 | -42.6 | 178.3 | -169.2 | 0 | 0 | 0 | 0 | 112.3 | L16 E17 K18 I22 V23 W24 | L16-S20 WeakPolarHBondContact O-CB 3.49Å; L16-S20 PolarHBondContact O-N 3.04Å; E17-S20 PolarHBondContact O-N 3.45Å; K18-S20 VanDerWaalsContact C-N 3.35Å; S20-I22 VanDerWaalsContact C-N 3.33Å; S20-I22 PolarHBondContact O-N 3.43Å; S20-V23 PolarHBondContact O-N 2.99Å; S20-W24 WeakPolarHBondContact O-CB 3.49Å; S20-W24 PolarHBondContact O-N 3.2Å |
| 21 | L | 92.2 | Very high | 92.9 | Very high | 101 Ų | 101 | 104.6 Ų | 104.6 | 53% | 0.529 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.4 | -38.6 | 174.7 | -71.4 | 170 | 0 | 0 | 0 | 112.6 | E17 K18 T19 W24 N25 | E17-L21 PolarHBondContact O-N 2.89Å; E17-L21 VanDerWaalsContact O-N 3.13Å; K18-L21 PolarHBondContact O-N 3.29Å; T19-L21 PolarHBondContact O-N 3.24Å; L21-W24 PolarHBondContact O-N 2.97Å; L21-N25 WeakPolarHBondContact O-CB 3.35Å; L21-N25 PolarHBondContact O-N 3.49Å; L21-N25 PolarHBondContact O-ND2 3.36Å |
| 22 | I | 92.2 | Very high | 92.9 | Very high | 99 Ų | 99 | 103.8 Ų | 103.8 | 51% | 0.508 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.3 | -48.3 | 176.1 | -66.5 | 164.3 | 0 | 0 | 0 | 110.3 | K18 T19 S20 W24 N25 I26 | K18-I22 WeakPolarHBondContact O-CG1 3.39Å; K18-I22 PolarHBondContact O-N 3.21Å; T19-I22 PolarHBondContact O-N 3.2Å; S20-I22 VanDerWaalsContact C-N 3.33Å; S20-I22 PolarHBondContact O-N 3.43Å; I22-W24 VanDerWaalsContact C-N 3.29Å; I22-W24 PolarHBondContact O-N 2.96Å; I22-N25 PolarHBondContact O-N 3.41Å; I22-I26 HydrophobicContact CG2-CD1 3.81Å; I22-I26 HydrophobicContact CG2-CG1 4.45Å; I22-I26 WeakPolarHBondContact O-CG1 3.36Å; I22-I26 PolarHBondContact O-N 2.95Å |
| 23 | V | 93.6 | Very high | 92.9 | Very high | 88 Ų | 88 | 99.9 Ų | 99.9 | 53% | 0.533 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.5 | -41.1 | 178.3 | 174.7 | 0 | 0 | 0 | 0 | 110.7 | T19 S20 I26 F27 | T19-V23 HydrophobicContact CG2-CG2 4.5Å; T19-V23 WeakPolarHBondContact O-CG2 3.48Å; T19-V23 PolarHBondContact O-N 3.44Å; S20-V23 PolarHBondContact O-N 2.99Å; V23-I26 PolarHBondContact O-N 3.21Å; V23-F27 WeakPolarHBondContact O-CB 3.35Å; V23-F27 PolarHBondContact O-N 3.39Å |
| 24 | W | 94.7 | Very high | 93 | Very high | 161 Ų | 161 | 100.2 Ų | 100.2 | 61% | 0.61 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.2 | -48.7 | 174.9 | -179.5 | -100.8 | 0 | 0 | 0 | 112 | S20 L21 I22 I26 F27 V28 | S20-W24 WeakPolarHBondContact O-CB 3.49Å; S20-W24 PolarHBondContact O-N 3.2Å; L21-W24 PolarHBondContact O-N 2.97Å; I22-W24 VanDerWaalsContact C-N 3.29Å; I22-W24 PolarHBondContact O-N 2.96Å; W24-I26 VanDerWaalsContact C-N 3.33Å; W24-I26 PolarHBondContact O-N 2.85Å; W24-F27 PolarHBondContact O-N 2.87Å; W24-V28 HydrophobicContact CD2-CG2 4.23Å; W24-V28 HydrophobicContact CG-CG2 4.43Å; W24-V28 HydrophobicContact CZ2-CG2 4.11Å; W24-V28 WeakPolarHBondContact O-CB 3.33Å; W24-V28 VanDerWaalsContact O-CG2 3.31Å; W24-V28 WeakPolarHBondContact O-CG2 3.31Å; W24-V28 PolarHBondContact O-N 2.88Å |
| 25 | N | 93 | Very high | 93.1 | Very high | 93 Ų | 93 | 101.8 Ų | 101.8 | 50% | 0.497 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.1 | -39.4 | 177.6 | -80.5 | -36.4 | 0 | 0 | 0 | 112.6 | L21 I22 N29 | L21-N25 WeakPolarHBondContact O-CB 3.35Å; L21-N25 PolarHBondContact O-N 3.49Å; L21-N25 PolarHBondContact O-ND2 3.36Å; I22-N25 PolarHBondContact O-N 3.41Å; N25-N29 WeakPolarHBondContact O-CB 3.37Å; N25-N29 PolarHBondContact O-N 2.91Å; N25-N29 PolarHBondContact O-ND2 3.5Å |
| 26 | I | 93.7 | Very high | 93.2 | Very high | 107 Ų | 107 | 103.6 Ų | 103.6 | 55% | 0.549 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.5 | -46.3 | 174.6 | -68.1 | 167.4 | 0 | 0 | 0 | 109.9 | I22 V23 W24 V28 N29 L30 | I22-I26 HydrophobicContact CG2-CD1 3.81Å; I22-I26 HydrophobicContact CG2-CG1 4.45Å; I22-I26 WeakPolarHBondContact O-CG1 3.36Å; I22-I26 PolarHBondContact O-N 2.95Å; V23-I26 PolarHBondContact O-N 3.21Å; W24-I26 VanDerWaalsContact C-N 3.33Å; W24-I26 PolarHBondContact O-N 2.85Å; I26-V28 PolarHBondContact O-N 2.9Å; I26-N29 PolarHBondContact O-N 2.9Å; I26-L30 VanDerWaalsContact O-CB 3.28Å; I26-L30 WeakPolarHBondContact O-CB 3.32Å; I26-L30 PolarHBondContact O-N 3.43Å |
| 27 | F | 92.8 | Very high | 93.5 | Very high | 114 Ų | 114 | 104.3 Ų | 104.3 | 50% | 0.5 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63 | -42.9 | -180 | -174.7 | -99.9 | 0 | 0 | 0 | 112.2 | V23 W24 L30 R31 | V23-F27 WeakPolarHBondContact O-CB 3.35Å; V23-F27 PolarHBondContact O-N 3.39Å; W24-F27 PolarHBondContact O-N 2.87Å; F27-L30 PolarHBondContact O-N 3.33Å; F27-R31 WeakPolarHBondContact O-CB 3.31Å; F27-R31 PolarHBondContact O-N 2.94Å |
| 28 | V | 93.2 | Very high | 93.6 | Very high | 62 Ų | 62 | 102.4 Ų | 102.4 | 38% | 0.376 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.7 | -45.9 | 176 | 171.9 | 0 | 0 | 0 | 0 | 110.9 | W24 I26 L30 R31 L32 | W24-V28 HydrophobicContact CD2-CG2 4.23Å; W24-V28 HydrophobicContact CG-CG2 4.43Å; W24-V28 HydrophobicContact CZ2-CG2 4.11Å; W24-V28 WeakPolarHBondContact O-CB 3.33Å; W24-V28 VanDerWaalsContact O-CG2 3.31Å; W24-V28 WeakPolarHBondContact O-CG2 3.31Å; W24-V28 PolarHBondContact O-N 2.88Å; I26-V28 PolarHBondContact O-N 2.9Å; V28-L30 PolarHBondContact O-N 3.33Å; V28-R31 PolarHBondContact O-N 3.34Å; V28-L32 WeakPolarHBondContact O-CB 3.35Å; V28-L32 PolarHBondContact O-N 3.48Å |
| 29 | N | 93.6 | Very high | 93.8 | Very high | 105 Ų | 105 | 98.8 Ų | 98.8 | 56% | 0.561 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.5 | -39.5 | 176.8 | -82.7 | -51.7 | 0 | 0 | 0 | 112.6 | N25 I26 L32 G33 | N25-N29 WeakPolarHBondContact O-CB 3.37Å; N25-N29 PolarHBondContact O-N 2.91Å; N25-N29 PolarHBondContact O-ND2 3.5Å; I26-N29 PolarHBondContact O-N 2.9Å; N29-L32 PolarHBondContact O-N 3.42Å; N29-G33 PolarHBondContact O-N 2.82Å |
| 30 | L | 94.4 | Very high | 94 | Very high | 113 Ų | 113 | 104.8 Ų | 104.8 | 59% | 0.592 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.4 | -46.7 | 176.9 | -172.6 | 73.9 | 0 | 0 | 0 | 110.6 | I26 F27 V28 L32 G33 V34 | I26-L30 VanDerWaalsContact O-CB 3.28Å; I26-L30 WeakPolarHBondContact O-CB 3.32Å; I26-L30 PolarHBondContact O-N 3.43Å; F27-L30 PolarHBondContact O-N 3.33Å; V28-L30 PolarHBondContact O-N 3.33Å; L30-L32 PolarHBondContact O-N 3.27Å; L30-G33 PolarHBondContact O-N 2.97Å; L30-V34 WeakPolarHBondContact O-CG2 3.4Å; L30-V34 PolarHBondContact O-N 3.39Å |
| 31 | R | 93.2 | Very high | 94.1 | Very high | 182 Ų | 182 | 105.3 Ų | 105.3 | 69% | 0.687 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.8 | -41.8 | 178 | -170.6 | 174.6 | -178 | 173.3 | 0.8 | 111.7 | F27 V28 F35 | F27-R31 WeakPolarHBondContact O-CB 3.31Å; F27-R31 PolarHBondContact O-N 2.94Å; V28-R31 PolarHBondContact O-N 3.34Å; R31-F35 WeakPolarHBondContact O-CB 3.39Å; R31-F35 PolarHBondContact O-N 3.5Å |
| 32 | L | 94.8 | Very high | 94.3 | Very high | 92 Ų | 92 | 107.6 Ų | 107.6 | 48% | 0.482 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.7 | -41.9 | 175.2 | -171.5 | 68.1 | 0 | 0 | 0 | 111.3 | V28 N29 L30 F35 L36 | V28-L32 WeakPolarHBondContact O-CB 3.35Å; V28-L32 PolarHBondContact O-N 3.48Å; N29-L32 PolarHBondContact O-N 3.42Å; L30-L32 PolarHBondContact O-N 3.27Å; L32-F35 PolarHBondContact O-N 2.82Å; L32-L36 HydrophobicContact CG-CD1 4.3Å; L32-L36 VanDerWaalsContact O-CG 3.31Å; L32-L36 WeakPolarHBondContact O-CG 3.42Å; L32-L36 PolarHBondContact O-N 2.94Å |
| 33 | G | 94.1 | Very high | 94.5 | Very high | 39 Ų | 39 | 105.9 Ų | 105.9 | 40% | 0.402 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.4 | -46.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | N29 L30 F35 L36 L37 | N29-G33 PolarHBondContact O-N 2.82Å; L30-G33 PolarHBondContact O-N 2.97Å; G33-F35 VanDerWaalsContact C-N 3.34Å; G33-F35 PolarHBondContact O-N 3.43Å; G33-L36 PolarHBondContact O-N 2.95Å; G33-L37 WeakPolarHBondContact O-CB 3.28Å; G33-L37 PolarHBondContact O-N 2.98Å |
| 34 | V | 94.4 | Very high | 94.6 | Very high | 78 Ų | 78 | 105.2 Ų | 105.2 | 47% | 0.473 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.2 | -41.5 | 175.3 | 174.9 | 0 | 0 | 0 | 0 | 110.8 | L30 L37 L38 | L30-V34 WeakPolarHBondContact O-CG2 3.4Å; L30-V34 PolarHBondContact O-N 3.39Å; V34-L37 PolarHBondContact O-N 3.49Å; V34-L38 HydrophobicContact CG1-CD1 4.28Å; V34-L38 WeakPolarHBondContact O-CG 3.34Å; V34-L38 PolarHBondContact O-N 3.03Å |
| 35 | F | 94.6 | Very high | 94.6 | Very high | 125 Ų | 125 | 101.3 Ų | 101.3 | 55% | 0.548 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.8 | -48.5 | 176.4 | 179 | -99.2 | 0 | 0 | 0 | 112 | R31 L32 G33 L37 L38 V39 | R31-F35 WeakPolarHBondContact O-CB 3.39Å; R31-F35 PolarHBondContact O-N 3.5Å; L32-F35 PolarHBondContact O-N 2.82Å; G33-F35 VanDerWaalsContact C-N 3.34Å; G33-F35 PolarHBondContact O-N 3.43Å; F35-L37 VanDerWaalsContact C-N 3.31Å; F35-L37 PolarHBondContact O-N 2.99Å; F35-L38 PolarHBondContact O-N 3.41Å; F35-V39 HydrophobicContact CD1-CG2 4.26Å; F35-V39 HydrophobicContact CE1-CG2 3.87Å; F35-V39 HydrophobicContact CE2-CG2 4.36Å; F35-V39 HydrophobicContact CZ-CG2 3.92Å; F35-V39 WeakPolarHBondContact O-CG2 3.42Å; F35-V39 PolarHBondContact O-N 3.33Å |
| 36 | L | 94 | Very high | 94.6 | Very high | 102 Ų | 102 | 103.8 Ų | 103.8 | 53% | 0.534 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.5 | -37.6 | 177.1 | -70.4 | 173.7 | 0 | 0 | 0 | 112.3 | L32 G33 V39 R40 | L32-L36 HydrophobicContact CG-CD1 4.3Å; L32-L36 VanDerWaalsContact O-CG 3.31Å; L32-L36 WeakPolarHBondContact O-CG 3.42Å; L32-L36 PolarHBondContact O-N 2.94Å; G33-L36 PolarHBondContact O-N 2.95Å; L36-V39 PolarHBondContact O-N 3.39Å; L36-R40 PolarHBondContact O-N 3.25Å |
| 37 | L | 95.5 | Very high | 94.7 | Very high | 105 Ų | 105 | 103.9 Ų | 103.9 | 55% | 0.55 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.7 | -46.6 | 175.1 | -172.9 | 71.7 | 0 | 0 | 0 | 111.3 | G33 V34 F35 R40 I41 | G33-L37 WeakPolarHBondContact O-CB 3.28Å; G33-L37 PolarHBondContact O-N 2.98Å; V34-L37 PolarHBondContact O-N 3.49Å; F35-L37 VanDerWaalsContact C-N 3.31Å; F35-L37 PolarHBondContact O-N 2.99Å; L37-R40 PolarHBondContact O-N 2.92Å; L37-I41 HydrophobicContact CG-CD1 4.3Å; L37-I41 WeakPolarHBondContact O-CG1 3.35Å; L37-I41 PolarHBondContact O-N 3.33Å; L37-I41 VanDerWaalsContact O-N 3.1Å |
| 38 | L | 95.6 | Very high | 94.8 | Very high | 86 Ų | 86 | 101.3 Ų | 101.3 | 45% | 0.45 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.5 | -46.3 | 176.7 | -71.6 | 172.5 | 0 | 0 | 0 | 111.5 | V34 F35 R40 I41 F42 | V34-L38 HydrophobicContact CG1-CD1 4.28Å; V34-L38 WeakPolarHBondContact O-CG 3.34Å; V34-L38 PolarHBondContact O-N 3.03Å; F35-L38 PolarHBondContact O-N 3.41Å; L38-R40 VanDerWaalsContact C-N 3.28Å; L38-R40 PolarHBondContact O-N 3.41Å; L38-I41 PolarHBondContact O-N 3.46Å; L38-I41 VanDerWaalsContact O-N 3.12Å; L38-F42 VanDerWaalsContact O-CD2 3.26Å; L38-F42 WeakPolarHBondContact O-CD2 3.29Å; L38-F42 PolarHBondContact O-N 2.88Å |
| 39 | V | 95.9 | Very high | 94.8 | Very high | 71 Ų | 71 | 102.9 Ų | 102.9 | 43% | 0.43 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -57.2 | -42.3 | 177.5 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | F35 L36 F42 S43 | F35-V39 HydrophobicContact CD1-CG2 4.26Å; F35-V39 HydrophobicContact CE1-CG2 3.87Å; F35-V39 HydrophobicContact CE2-CG2 4.36Å; F35-V39 HydrophobicContact CZ-CG2 3.92Å; F35-V39 WeakPolarHBondContact O-CG2 3.42Å; F35-V39 PolarHBondContact O-N 3.33Å; L36-V39 PolarHBondContact O-N 3.39Å; V39-F42 PolarHBondContact O-N 3.44Å; V39-S43 VanDerWaalsContact O-CB 3.29Å; V39-S43 WeakPolarHBondContact O-CB 3.29Å; V39-S43 PolarHBondContact O-N 3.31Å |
| 40 | R | 95.6 | Very high | 94.7 | Very high | 198 Ų | 198 | 100.8 Ų | 100.8 | 75% | 0.747 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.5 | -42.9 | 176.5 | -174.7 | 178 | 179.9 | 167.1 | 0.5 | 112.3 | L36 L37 L38 S44 | L36-R40 PolarHBondContact O-N 3.25Å; L37-R40 PolarHBondContact O-N 2.92Å; L38-R40 VanDerWaalsContact C-N 3.28Å; L38-R40 PolarHBondContact O-N 3.41Å; R40-S44 WeakPolarHBondContact O-CB 3.37Å; R40-S44 PolarHBondContact O-N 2.76Å |
| 41 | I | 95.8 | Very high | 94.6 | Very high | 91 Ų | 91 | 101.2 Ų | 101.2 | 47% | 0.467 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63 | -50.7 | 177.5 | -65.8 | 164.9 | 0 | 0 | 0 | 110 | L37 L38 S43 S44 V45 | L37-I41 HydrophobicContact CG-CD1 4.3Å; L37-I41 WeakPolarHBondContact O-CG1 3.35Å; L37-I41 PolarHBondContact O-N 3.33Å; L37-I41 VanDerWaalsContact O-N 3.1Å; L38-I41 PolarHBondContact O-N 3.46Å; L38-I41 VanDerWaalsContact O-N 3.12Å; I41-S43 VanDerWaalsContact C-N 3.34Å; I41-S43 PolarHBondContact O-N 3.12Å; I41-S44 PolarHBondContact O-N 2.96Å; I41-V45 HydrophobicContact CG2-CG2 4.41Å; I41-V45 VanDerWaalsContact O-CG2 3.31Å; I41-V45 WeakPolarHBondContact O-CG2 3.37Å; I41-V45 PolarHBondContact O-N 3.49Å |
| 42 | F | 95.7 | Very high | 94.5 | Very high | 149 Ų | 149 | 97.3 Ų | 97.3 | 65% | 0.654 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59.6 | -43.7 | 178.4 | -84.8 | -74 | 0 | 0 | 0 | 112.3 | L38 V39 S44 V45 F46 | L38-F42 VanDerWaalsContact O-CD2 3.26Å; L38-F42 WeakPolarHBondContact O-CD2 3.29Å; L38-F42 PolarHBondContact O-N 2.88Å; V39-F42 PolarHBondContact O-N 3.44Å; F42-S44 PolarHBondContact O-N 2.91Å; F42-V45 PolarHBondContact O-N 3.33Å; F42-F46 VanDerWaalsContact O-CB 3.31Å; F42-F46 WeakPolarHBondContact O-CB 3.31Å; F42-F46 PolarHBondContact O-N 3.34Å |
| 43 | S | 95.8 | Very high | 94.4 | Very high | 62 Ų | 62 | 94.5 Ų | 94.5 | 43% | 0.434 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.2 | -44.5 | 176.1 | -179.7 | 0 | 0 | 0 | 0 | 111.7 | V39 I41 V45 F46 L47 | V39-S43 VanDerWaalsContact O-CB 3.29Å; V39-S43 WeakPolarHBondContact O-CB 3.29Å; V39-S43 PolarHBondContact O-N 3.31Å; I41-S43 VanDerWaalsContact C-N 3.34Å; I41-S43 PolarHBondContact O-N 3.12Å; S43-V45 PolarHBondContact O-N 3.1Å; S43-F46 PolarHBondContact O-N 2.96Å; S43-L47 WeakPolarHBondContact O-CB 3.26Å; S43-L47 VanDerWaalsContact O-CG 3.29Å; S43-L47 WeakPolarHBondContact O-CG 3.31Å; S43-L47 PolarHBondContact O-N 3.2Å |
| 44 | S | 95.8 | Very high | 94.2 | Very high | 75 Ų | 75 | 97.1 Ų | 97.1 | 52% | 0.524 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.1 | -41.7 | 177.1 | -174.4 | 0 | 0 | 0 | 0 | 112.6 | R40 I41 F42 S48 | R40-S44 WeakPolarHBondContact O-CB 3.37Å; R40-S44 PolarHBondContact O-N 2.76Å; I41-S44 PolarHBondContact O-N 2.96Å; F42-S44 PolarHBondContact O-N 2.91Å; S44-S48 PolarHBondContact O-N 2.88Å; S44-S48 VanDerWaalsContact O-N 3.1Å; S44-S48 PolarHBondContact O-OG 3.42Å |
| 45 | V | 94.9 | Very high | 93.9 | Very high | 79 Ų | 79 | 98.4 Ų | 98.4 | 48% | 0.479 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.5 | -41.6 | 177.6 | 174.8 | 0 | 0 | 0 | 0 | 110.7 | I41 F42 S43 S48 V49 | I41-V45 HydrophobicContact CG2-CG2 4.41Å; I41-V45 VanDerWaalsContact O-CG2 3.31Å; I41-V45 WeakPolarHBondContact O-CG2 3.37Å; I41-V45 PolarHBondContact O-N 3.49Å; F42-V45 PolarHBondContact O-N 3.33Å; S43-V45 PolarHBondContact O-N 3.1Å; V45-S48 PolarHBondContact O-N 2.89Å; V45-S48 PolarHBondContact O-OG 3.05Å; V45-V49 VanDerWaalsContact O-CG2 3.32Å; V45-V49 WeakPolarHBondContact O-CG2 3.39Å; V45-V49 PolarHBondContact O-N 2.86Å |
| 46 | F | 94.2 | Very high | 93.6 | Very high | 145 Ų | 145 | 101.4 Ų | 101.4 | 64% | 0.636 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.7 | -43.4 | 178 | -175 | -94.9 | 0 | 0 | 0 | 112.1 | F42 S43 V49 T50 | F42-F46 VanDerWaalsContact O-CB 3.31Å; F42-F46 WeakPolarHBondContact O-CB 3.31Å; F42-F46 PolarHBondContact O-N 3.34Å; S43-F46 PolarHBondContact O-N 2.96Å; F46-V49 PolarHBondContact O-N 3.49Å; F46-T50 WeakPolarHBondContact O-CB 3.31Å; F46-T50 PolarHBondContact O-N 3.37Å; F46-T50 PolarHBondContact O-OG1 3.38Å |
| 47 | L | 94.7 | Very high | 93.3 | Very high | 109 Ų | 109 | 100.5 Ų | 100.5 | 57% | 0.571 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.1 | -42.8 | 176.3 | -73.9 | 172.3 | 0 | 0 | 0 | 111.6 | S43 T50 F51 | S43-L47 WeakPolarHBondContact O-CB 3.26Å; S43-L47 VanDerWaalsContact O-CG 3.29Å; S43-L47 WeakPolarHBondContact O-CG 3.31Å; S43-L47 PolarHBondContact O-N 3.2Å; L47-T50 PolarHBondContact O-N 2.94Å; L47-F51 VanDerWaalsContact O-CB 3.31Å; L47-F51 WeakPolarHBondContact O-CB 3.41Å; L47-F51 PolarHBondContact O-N 3.1Å |
| 48 | S | 94.1 | Very high | 92.9 | Very high | 59 Ų | 59 | 100.3 Ų | 100.3 | 41% | 0.413 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.4 | -42.8 | 179.3 | 68.5 | 0 | 0 | 0 | 0 | 112.2 | S44 V45 F51 L52 | S44-S48 PolarHBondContact O-N 2.88Å; S44-S48 VanDerWaalsContact O-N 3.1Å; S44-S48 PolarHBondContact O-OG 3.42Å; V45-S48 PolarHBondContact O-N 2.89Å; V45-S48 PolarHBondContact O-OG 3.05Å; S48-F51 PolarHBondContact O-N 3.46Å; S48-L52 WeakPolarHBondContact O-CD1 3.32Å; S48-L52 PolarHBondContact O-N 2.8Å |
| 49 | V | 93.4 | Very high | 92.4 | Very high | 96 Ų | 96 | 102 Ų | 102 | 58% | 0.582 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.8 | -44.1 | 175.5 | 173.1 | 0 | 0 | 0 | 0 | 111.1 | V45 F46 F51 L52 G53 | V45-V49 VanDerWaalsContact O-CG2 3.32Å; V45-V49 WeakPolarHBondContact O-CG2 3.39Å; V45-V49 PolarHBondContact O-N 2.86Å; F46-V49 PolarHBondContact O-N 3.49Å; V49-F51 VanDerWaalsContact C-N 3.33Å; V49-F51 PolarHBondContact O-N 2.88Å; V49-L52 PolarHBondContact O-N 3.15Å; V49-G53 PolarHBondContact O-N 3.41Å |
| 50 | T | 92.5 | Very high | 91.9 | Very high | 61 Ų | 61 | 101.7 Ų | 101.7 | 37% | 0.374 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61 | -44.1 | 177.1 | -56.9 | 0 | 0 | 0 | 0 | 110.8 | F46 L47 G53 L54 | F46-T50 WeakPolarHBondContact O-CB 3.31Å; F46-T50 PolarHBondContact O-N 3.37Å; F46-T50 PolarHBondContact O-OG1 3.38Å; L47-T50 PolarHBondContact O-N 2.94Å; T50-G53 PolarHBondContact O-N 2.87Å; T50-L54 HydrophobicContact CG2-CD1 4.3Å; T50-L54 WeakPolarHBondContact O-CG 3.42Å; T50-L54 PolarHBondContact O-N 3.19Å |
| 51 | F | 91.9 | Very high | 91.6 | Very high | 122 Ų | 122 | 96.4 Ų | 96.4 | 54% | 0.535 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.8 | -40.2 | 179.1 | -164.7 | -122.4 | 0 | 0 | 0 | 112.6 | L47 S48 V49 G53 L54 F55 | L47-F51 VanDerWaalsContact O-CB 3.31Å; L47-F51 WeakPolarHBondContact O-CB 3.41Å; L47-F51 PolarHBondContact O-N 3.1Å; S48-F51 PolarHBondContact O-N 3.46Å; V49-F51 VanDerWaalsContact C-N 3.33Å; V49-F51 PolarHBondContact O-N 2.88Å; F51-G53 VanDerWaalsContact C-N 3.32Å; F51-G53 PolarHBondContact O-N 3.31Å; F51-L54 PolarHBondContact O-N 3.46Å; F51-F55 AromaticContact CD1-CD2 3.8Å; F51-F55 HydrophobicContact CD1-CD2 3.8Å; F51-F55 AromaticContact CD1-CE2 3.5Å; F51-F55 HydrophobicContact CD1-CE2 3.5Å; F51-F55 VanDerWaalsContact CD1-CE2 3.5Å; F51-F55 HydrophobicContact CD2-CE2 4.47Å; F51-F55 AromaticContact CE1-CD2 3.82Å; F51-F55 HydrophobicContact CE1-CD2 3.82Å; F51-F55 AromaticContact CE1-CE2 3.02Å; F51-F55 HydrophobicContact CE1-CE2 3.02Å; F51-F55 AromaticContact CE1-CZ 3.78Å; F51-F55 HydrophobicContact CE1-CZ 3.78Å; F51-F55 HydrophobicContact CE2-CE2 4.04Å; F51-F55 HydrophobicContact CE2-CZ 4.4Å; F51-F55 HydrophobicContact CG-CD2 4.24Å; F51-F55 HydrophobicContact CG-CE2 4.22Å; F51-F55 HydrophobicContact CZ-CD2 4.15Å; F51-F55 AromaticContact CZ-CE2 3.29Å; F51-F55 HydrophobicContact CZ-CE2 3.29Å; F51-F55 AromaticContact CZ-CZ 3.62Å; F51-F55 HydrophobicContact CZ-CZ 3.62Å; F51-F55 WeakPolarHBondContact O-CD2 3.31Å; F51-F55 PolarHBondContact O-N 3.46Å |
| 52 | L | 92.2 | Very high | 91.2 | Very high | 100 Ų | 100 | 94.1 Ų | 94.1 | 52% | 0.524 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.2 | -40.8 | 171.6 | -96.6 | 77 | 0 | 0 | 0 | 111.7 | S48 V49 F55 R56 | S48-L52 WeakPolarHBondContact O-CD1 3.32Å; S48-L52 PolarHBondContact O-N 2.8Å; V49-L52 PolarHBondContact O-N 3.15Å; L52-F55 PolarHBondContact O-N 3.32Å; L52-R56 WeakPolarHBondContact O-CG 3.21Å; L52-R56 PolarHBondContact O-N 2.85Å |
| 53 | G | 91.2 | Very high | 90.9 | Very high | 33 Ų | 33 | 95.9 Ų | 95.9 | 34% | 0.34 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.5 | -45.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | V49 T50 F51 R56 T57 | V49-G53 PolarHBondContact O-N 3.41Å; T50-G53 PolarHBondContact O-N 2.87Å; F51-G53 VanDerWaalsContact C-N 3.32Å; F51-G53 PolarHBondContact O-N 3.31Å; G53-R56 PolarHBondContact O-N 3.32Å; G53-T57 WeakPolarHBondContact O-CG2 3.5Å; G53-T57 PolarHBondContact O-N 2.95Å; G53-T57 PolarHBondContact O-OG1 3.48Å |
| 54 | L | 89.4 | Confident | 90.6 | Very high | 93 Ų | 93 | 97.7 Ų | 97.7 | 49% | 0.487 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.2 | -43.4 | 175.8 | -72.1 | 173.4 | 0 | 0 | 0 | 111.8 | T50 F51 R56 T57 L58 | T50-L54 HydrophobicContact CG2-CD1 4.3Å; T50-L54 WeakPolarHBondContact O-CG 3.42Å; T50-L54 PolarHBondContact O-N 3.19Å; F51-L54 PolarHBondContact O-N 3.46Å; L54-R56 VanDerWaalsContact C-N 3.33Å; L54-R56 PolarHBondContact O-N 2.98Å; L54-T57 WeakPolarHBondContact CA-OG1 3.4Å; L54-T57 CarbonylContact O-C 3.59Å; L54-T57 PolarHBondContact O-N 3.36Å; L54-T57 VanDerWaalsContact O-N 3.15Å; L54-T57 PolarHBondContact O-OG1 2.87Å; L54-L58 WeakPolarHBondContact O-CB 3.45Å; L54-L58 VanDerWaalsContact O-CG 3.31Å; L54-L58 WeakPolarHBondContact O-CG 3.39Å; L54-L58 PolarHBondContact O-N 2.94Å |
| 55 | F | 88.2 | Confident | 90.3 | Very high | 106 Ų | 106 | 97.3 Ų | 97.3 | 47% | 0.465 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.1 | -41.8 | 174.4 | -88.8 | -60.6 | 0 | 0 | 0 | 112.9 | F51 L52 T57 L58 L59 | F51-F55 AromaticContact CD1-CD2 3.8Å; F51-F55 HydrophobicContact CD1-CD2 3.8Å; F51-F55 AromaticContact CD1-CE2 3.5Å; F51-F55 HydrophobicContact CD1-CE2 3.5Å; F51-F55 VanDerWaalsContact CD1-CE2 3.5Å; F51-F55 HydrophobicContact CD2-CE2 4.47Å; F51-F55 AromaticContact CE1-CD2 3.82Å; F51-F55 HydrophobicContact CE1-CD2 3.82Å; F51-F55 AromaticContact CE1-CE2 3.02Å; F51-F55 HydrophobicContact CE1-CE2 3.02Å; F51-F55 AromaticContact CE1-CZ 3.78Å; F51-F55 HydrophobicContact CE1-CZ 3.78Å; F51-F55 HydrophobicContact CE2-CE2 4.04Å; F51-F55 HydrophobicContact CE2-CZ 4.4Å; F51-F55 HydrophobicContact CG-CD2 4.24Å; F51-F55 HydrophobicContact CG-CE2 4.22Å; F51-F55 HydrophobicContact CZ-CD2 4.15Å; F51-F55 AromaticContact CZ-CE2 3.29Å; F51-F55 HydrophobicContact CZ-CE2 3.29Å; F51-F55 AromaticContact CZ-CZ 3.62Å; F51-F55 HydrophobicContact CZ-CZ 3.62Å; F51-F55 WeakPolarHBondContact O-CD2 3.31Å; F51-F55 PolarHBondContact O-N 3.46Å; L52-F55 PolarHBondContact O-N 3.32Å; F55-T57 PolarHBondContact O-N 3.25Å; F55-L58 PolarHBondContact O-N 3.45Å; F55-L59 VanDerWaalsContact O-CG 3.3Å; F55-L59 WeakPolarHBondContact O-CG 3.39Å; F55-L59 PolarHBondContact O-N 3.26Å |
| 56 | R | 89.9 | Confident | 90 | Very high | 187 Ų | 187 | 99.1 Ų | 99.1 | 71% | 0.706 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.3 | -34 | 175.7 | -75.1 | 178.9 | -179.2 | 173.8 | 1.3 | 112.5 | L52 G53 L54 P60 | L52-R56 WeakPolarHBondContact O-CG 3.21Å; L52-R56 PolarHBondContact O-N 2.85Å; G53-R56 PolarHBondContact O-N 3.32Å; L54-R56 VanDerWaalsContact C-N 3.33Å; L54-R56 PolarHBondContact O-N 2.98Å; R56-P60 WeakPolarHBondContact O-CD 3.42Å |
| 57 | T | 87.9 | Confident | 89.6 | Confident | 83 Ų | 83 | 97.6 Ų | 97.6 | 51% | 0.509 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -81.5 | -28.8 | 175.7 | 57.2 | 0 | 0 | 0 | 0 | 113.1 | G53 L54 F55 P60 V61 | G53-T57 WeakPolarHBondContact O-CG2 3.5Å; G53-T57 PolarHBondContact O-N 2.95Å; G53-T57 PolarHBondContact O-OG1 3.48Å; L54-T57 WeakPolarHBondContact CA-OG1 3.4Å; L54-T57 CarbonylContact O-C 3.59Å; L54-T57 PolarHBondContact O-N 3.36Å; L54-T57 VanDerWaalsContact O-N 3.15Å; L54-T57 PolarHBondContact O-OG1 2.87Å; F55-T57 PolarHBondContact O-N 3.25Å; T57-P60 VanDerWaalsContact O-CD 3.23Å; T57-P60 WeakPolarHBondContact O-CD 3.21Å; T57-P60 WeakPolarHBondContact O-CG 3.42Å; T57-V61 WeakPolarHBondContact O-CG2 3.21Å |
| 58 | L | 85.6 | Confident | 89.2 | Confident | 102 Ų | 102 | 97.7 Ų | 97.7 | 53% | 0.534 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -74.1 | -32.8 | 175.1 | -74.5 | 168.3 | 0 | 0 | 0 | 113 | L54 F55 V61 G62 | L54-L58 WeakPolarHBondContact O-CB 3.45Å; L54-L58 VanDerWaalsContact O-CG 3.31Å; L54-L58 WeakPolarHBondContact O-CG 3.39Å; L54-L58 PolarHBondContact O-N 2.94Å; F55-L58 PolarHBondContact O-N 3.45Å; L58-V61 PolarHBondContact O-N 3.48Å; L58-V61 VanDerWaalsContact O-N 3.16Å; L58-G62 PolarHBondContact O-N 3.27Å |
| 59 | L | 86.3 | Confident | 89 | Confident | 121 Ų | 121 | 100.3 Ų | 100.3 | 63% | 0.634 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -54.5 | -48.7 | 177.2 | -77 | 168.9 | 0 | 0 | 0 | 114.2 | F55 G62 R63 | F55-L59 VanDerWaalsContact O-CG 3.3Å; F55-L59 WeakPolarHBondContact O-CG 3.39Å; F55-L59 PolarHBondContact O-N 3.26Å; L59-G62 PolarHBondContact O-N 2.95Å; L59-R63 WeakPolarHBondContact O-CG 3.38Å; L59-R63 PolarHBondContact O-N 3.22Å; L59-R63 VanDerWaalsContact O-N 3.07Å |
| 60 | P | 85.3 | Confident | 88.7 | Confident | 65 Ų | 65 | 99.6 Ų | 99.6 | 42% | 0.422 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68.3 | -34.9 | 175.3 | 25.8 | -33.7 | 0 | 0 | 0 | 111.9 | R56 T57 R63 I64 | R56-P60 WeakPolarHBondContact O-CD 3.42Å; T57-P60 VanDerWaalsContact O-CD 3.23Å; T57-P60 WeakPolarHBondContact O-CD 3.21Å; T57-P60 WeakPolarHBondContact O-CG 3.42Å; P60-R63 PolarHBondContact O-N 3.46Å; P60-I64 WeakPolarHBondContact O-CD1 3Å; P60-I64 WeakPolarHBondContact O-CG1 3.23Å; P60-I64 PolarHBondContact O-N 2.8Å |
| 61 | V | 89 | Confident | 88.3 | Confident | 87 Ų | 87 | 102.9 Ų | 102.9 | 53% | 0.527 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.2 | -44.5 | 176.1 | 177.5 | 0 | 0 | 0 | 0 | 110.8 | T57 L58 R63 I64 C65 | T57-V61 WeakPolarHBondContact O-CG2 3.21Å; L58-V61 PolarHBondContact O-N 3.48Å; L58-V61 VanDerWaalsContact O-N 3.16Å; V61-R63 VanDerWaalsContact C-N 3.34Å; V61-R63 PolarHBondContact O-N 3.16Å; V61-I64 PolarHBondContact O-N 2.88Å; V61-C65 WeakPolarHBondContact O-CB 3.3Å; V61-C65 PolarHBondContact O-N 3.03Å |
| 62 | G | 88 | Confident | 87.9 | Confident | 43 Ų | 43 | 99.4 Ų | 99.4 | 44% | 0.443 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.9 | -41.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L58 L59 C65 F66 | L58-G62 PolarHBondContact O-N 3.27Å; L59-G62 PolarHBondContact O-N 2.95Å; G62-C65 PolarHBondContact O-N 3.33Å; G62-F66 WeakPolarHBondContact O-CB 3.37Å; G62-F66 PolarHBondContact O-N 3.19Å |
| 63 | R | 87.9 | Confident | 87.3 | Confident | 186 Ų | 186 | 99.5 Ų | 99.5 | 70% | 0.702 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63 | -44.3 | 173.9 | -73.9 | -74.2 | -175.7 | 164.2 | 0.3 | 112.3 | L59 P60 V61 F66 L67 | L59-R63 WeakPolarHBondContact O-CG 3.38Å; L59-R63 PolarHBondContact O-N 3.22Å; L59-R63 VanDerWaalsContact O-N 3.07Å; P60-R63 PolarHBondContact O-N 3.46Å; V61-R63 VanDerWaalsContact C-N 3.34Å; V61-R63 PolarHBondContact O-N 3.16Å; R63-F66 PolarHBondContact O-N 3.22Å; R63-L67 VanDerWaalsContact O-CG 3.31Å; R63-L67 WeakPolarHBondContact O-CG 3.44Å; R63-L67 PolarHBondContact O-N 2.85Å |
| 64 | I | 90.9 | Very high | 86.3 | Confident | 99 Ų | 99 | 107.3 Ų | 107.3 | 51% | 0.508 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.1 | -44.7 | 177.7 | -65.9 | 160.5 | 0 | 0 | 0 | 110.3 | P60 V61 F66 L67 L68 | P60-I64 WeakPolarHBondContact O-CD1 3Å; P60-I64 WeakPolarHBondContact O-CG1 3.23Å; P60-I64 PolarHBondContact O-N 2.8Å; V61-I64 PolarHBondContact O-N 2.88Å; I64-F66 PolarHBondContact O-N 3.34Å; I64-L67 PolarHBondContact O-N 3.03Å; I64-L68 HydrophobicContact CG2-CD1 4.34Å; I64-L68 WeakPolarHBondContact O-CG 3.5Å; I64-L68 PolarHBondContact O-N 3.25Å |
| 65 | C | 87.7 | Confident | 85.1 | Confident | 67 Ų | 67 | 109.9 Ų | 109.9 | 45% | 0.453 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.6 | -43.4 | 177 | -171.3 | 0 | 0 | 0 | 0 | 111.9 | V61 G62 L67 L68 L69 | V61-C65 WeakPolarHBondContact O-CB 3.3Å; V61-C65 PolarHBondContact O-N 3.03Å; G62-C65 PolarHBondContact O-N 3.33Å; C65-L67 VanDerWaalsContact C-N 3.34Å; C65-L67 PolarHBondContact O-N 2.94Å; C65-L68 WeakPolarHBondContact O-CB 3.5Å; C65-L68 PolarHBondContact O-N 3.48Å; C65-L68 VanDerWaalsContact O-N 3.12Å; C65-L69 WeakPolarHBondContact O-CG 3.34Å; C65-L69 PolarHBondContact O-N 3.33Å |
| 66 | F | 89.2 | Confident | 84 | Confident | 117 Ų | 117 | 110.5 Ų | 110.5 | 51% | 0.513 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61.2 | -40.8 | 175.5 | -175 | -102 | 0 | 0 | 0 | 112.4 | G62 R63 I64 L68 L69 L70 | G62-F66 WeakPolarHBondContact O-CB 3.37Å; G62-F66 PolarHBondContact O-N 3.19Å; R63-F66 PolarHBondContact O-N 3.22Å; I64-F66 PolarHBondContact O-N 3.34Å; F66-L68 VanDerWaalsContact C-N 3.33Å; F66-L68 PolarHBondContact O-N 3.21Å; F66-L69 PolarHBondContact O-N 3.25Å; F66-L70 HydrophobicContact CD1-CD1 3.84Å; F66-L70 HydrophobicContact CD1-CG 4.41Å; F66-L70 HydrophobicContact CE1-CD1 3.37Å; F66-L70 HydrophobicContact CE1-CG 4.06Å; F66-L70 HydrophobicContact CZ-CD1 3.94Å; F66-L70 HydrophobicContact CZ-CG 4.24Å; F66-L70 WeakPolarHBondContact O-CG 3.4Å; F66-L70 PolarHBondContact O-N 2.9Å |
| 67 | L | 85.7 | Confident | 82.7 | Confident | 114 Ų | 114 | 105.5 Ų | 105.5 | 60% | 0.597 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -65.5 | -35.4 | 173.9 | -69.3 | 172.9 | 0 | 0 | 0 | 112.4 | R63 I64 C65 K71 | R63-L67 VanDerWaalsContact O-CG 3.31Å; R63-L67 WeakPolarHBondContact O-CG 3.44Å; R63-L67 PolarHBondContact O-N 2.85Å; I64-L67 PolarHBondContact O-N 3.03Å; C65-L67 VanDerWaalsContact C-N 3.34Å; C65-L67 PolarHBondContact O-N 2.94Å; L67-K71 VanDerWaalsContact O-CB 3.32Å; L67-K71 WeakPolarHBondContact O-CB 3.39Å; L67-K71 PolarHBondContact O-N 3.5Å |
| 68 | L | 87.3 | Confident | 81.3 | Confident | 111 Ų | 111 | 106.1 Ų | 106.1 | 58% | 0.581 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -67.1 | -41.2 | 174.1 | -70.5 | 173.2 | 0 | 0 | 0 | 111.8 | I64 C65 F66 K71 A72 | I64-L68 HydrophobicContact CG2-CD1 4.34Å; I64-L68 WeakPolarHBondContact O-CG 3.5Å; I64-L68 PolarHBondContact O-N 3.25Å; C65-L68 WeakPolarHBondContact O-CB 3.5Å; C65-L68 PolarHBondContact O-N 3.48Å; C65-L68 VanDerWaalsContact O-N 3.12Å; F66-L68 VanDerWaalsContact C-N 3.33Å; F66-L68 PolarHBondContact O-N 3.21Å; L68-K71 PolarHBondContact O-N 2.98Å; L68-A72 WeakPolarHBondContact O-CB 3.32Å; L68-A72 PolarHBondContact O-N 2.91Å |
| 69 | L | 88.8 | Confident | 80 | Confident | 113 Ų | 113 | 105.9 Ų | 105.9 | 59% | 0.592 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -62.9 | -46.8 | 175.2 | -73.2 | 170.3 | 0 | 0 | 0 | 111.7 | C65 F66 K71 A72 D73 | C65-L69 WeakPolarHBondContact O-CG 3.34Å; C65-L69 PolarHBondContact O-N 3.33Å; F66-L69 PolarHBondContact O-N 3.25Å; L69-K71 PolarHBondContact O-N 3.35Å; L69-A72 PolarHBondContact O-N 3.12Å; L69-D73 PolarHBondContact O-N 3.07Å |
| 70 | L | 87.2 | Confident | 78.6 | Confident | 81 Ų | 81 | 109.9 Ų | 109.9 | 42% | 0.424 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -61.9 | -32.9 | 174.6 | -74.4 | 177.2 | 0 | 0 | 0 | 112.6 | F66 | F66-L70 HydrophobicContact CD1-CD1 3.84Å; F66-L70 HydrophobicContact CD1-CG 4.41Å; F66-L70 HydrophobicContact CE1-CD1 3.37Å; F66-L70 HydrophobicContact CE1-CG 4.06Å; F66-L70 HydrophobicContact CZ-CD1 3.94Å; F66-L70 HydrophobicContact CZ-CG 4.24Å; F66-L70 WeakPolarHBondContact O-CG 3.4Å; F66-L70 PolarHBondContact O-N 2.9Å |
| 71 | K | 83.8 | Confident | 77.3 | Confident | 131 Ų | 131 | 112.2 Ų | 112.2 | 57% | 0.57 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -75.2 | -35.2 | 176.4 | -168.9 | 168.8 | -178.3 | 174.3 | 0 | 112.2 | L67 L68 L69 D73 R74 F75 | L67-K71 VanDerWaalsContact O-CB 3.32Å; L67-K71 WeakPolarHBondContact O-CB 3.39Å; L67-K71 PolarHBondContact O-N 3.5Å; L68-K71 PolarHBondContact O-N 2.98Å; L69-K71 PolarHBondContact O-N 3.35Å; K71-D73 VanDerWaalsContact C-N 3.3Å; K71-D73 PolarHBondContact O-N 2.97Å; K71-R74 PolarHBondContact O-N 3.41Å; K71-F75 HydrophobicContact CG-CD2 4.39Å; K71-F75 PolarHBondContact O-N 3.38Å |
| 72 | A | 85.3 | Confident | 75.8 | Confident | 49 Ų | 49 | 112.2 Ų | 112.2 | 41% | 0.405 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63.3 | -37.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L68 L69 F75 L76 | L68-A72 WeakPolarHBondContact O-CB 3.32Å; L68-A72 PolarHBondContact O-N 2.91Å; L69-A72 PolarHBondContact O-N 3.12Å; A72-F75 PolarHBondContact O-N 3.43Å; A72-L76 PolarHBondContact O-N 3.47Å |
| 73 | D | 77.6 | Confident | 74.2 | Confident | 101 Ų | 101 | 119.2 Ų | 119.2 | 54% | 0.54 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -65.1 | -39.8 | 177.4 | -167 | 49.9 | 0 | 0 | 0 | 112.8 | L69 K71 F75 L76 T77 | L69-D73 PolarHBondContact O-N 3.07Å; K71-D73 VanDerWaalsContact C-N 3.3Å; K71-D73 PolarHBondContact O-N 2.97Å; D73-F75 VanDerWaalsContact C-N 3.34Å; D73-F75 PolarHBondContact O-N 3.46Å; D73-L76 PolarHBondContact O-N 3.21Å; D73-T77 PolarHBondContact O-N 3.02Å; D73-T77 PolarHBondContact O-OG1 2.77Å |
| 74 | R | 70.6 | Confident | 72.8 | Confident | 198 Ų | 198 | 114.1 Ų | 114.1 | 75% | 0.747 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -64.4 | -35.9 | 172.7 | -69.5 | -171.6 | -178.5 | 178.4 | 1.2 | 112.9 | K71 T77 S78 | K71-R74 PolarHBondContact O-N 3.41Å; R74-T77 WeakPolarHBondContact CA-OG1 3.22Å; R74-T77 PolarHBondContact O-OG1 2.95Å; R74-S78 WeakPolarHBondContact O-CB 3.32Å; R74-S78 PolarHBondContact O-N 3.45Å |
| 75 | F | 65.9 | Low | 71.3 | Confident | 146 Ų | 146 | 120.3 Ų | 120.3 | 64% | 0.64 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -70.9 | -39 | 175.8 | -98.5 | -85.9 | 0 | 0 | 0 | 112 | K71 A72 D73 S79 | K71-F75 HydrophobicContact CG-CD2 4.39Å; K71-F75 PolarHBondContact O-N 3.38Å; A72-F75 PolarHBondContact O-N 3.43Å; D73-F75 VanDerWaalsContact C-N 3.34Å; D73-F75 PolarHBondContact O-N 3.46Å; F75-S79 WeakPolarHBondContact O-CB 3.31Å; F75-S79 PolarHBondContact O-N 3.4Å |
| 76 | L | 63.3 | Low | 69.9 | Low | 120 Ų | 120 | 125.4 Ų | 125.4 | 63% | 0.628 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -66.6 | -38.3 | 176.9 | -110 | 141.3 | 0 | 0 | 0 | 112.5 | A72 D73 | A72-L76 PolarHBondContact O-N 3.47Å; D73-L76 PolarHBondContact O-N 3.21Å |
| 77 | T | 62.5 | Low | 68.5 | Low | 82 Ų | 82 | 126.7 Ų | 126.7 | 50% | 0.503 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -74.3 | -40.3 | 174.9 | 44.3 | 0 | 0 | 0 | 0 | 112.3 | D73 R74 S79 R80 | D73-T77 PolarHBondContact O-N 3.02Å; D73-T77 PolarHBondContact O-OG1 2.77Å; R74-T77 WeakPolarHBondContact CA-OG1 3.22Å; R74-T77 PolarHBondContact O-OG1 2.95Å; T77-S79 VanDerWaalsContact C-N 3.33Å; T77-S79 PolarHBondContact O-N 3.2Å; T77-R80 PolarHBondContact O-N 3.45Å |
| 78 | S | 58.6 | Low | 67 | Low | 96 Ų | 96 | 126.5 Ų | 126.5 | 67% | 0.671 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -69.6 | -25.5 | 177.7 | -177.1 | 0 | 0 | 0 | 0 | 114 | R74 R80 | R74-S78 WeakPolarHBondContact O-CB 3.32Å; R74-S78 PolarHBondContact O-N 3.45Å; S78-R80 PolarHBondContact O-N 2.95Å |
| 79 | S | 59.3 | Low | 65.3 | Low | 96 Ų | 96 | 127.2 Ų | 127.2 | 67% | 0.671 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -11 | 175.6 | -172 | 0 | 0 | 0 | 0 | 113 | F75 T77 | F75-S79 WeakPolarHBondContact O-CB 3.31Å; F75-S79 PolarHBondContact O-N 3.4Å; T77-S79 VanDerWaalsContact C-N 3.33Å; T77-S79 PolarHBondContact O-N 3.2Å |
| 80 | R | 56.7 | Low | 63.6 | Low | 206 Ų | 206 | 126.4 Ų | 126.4 | 78% | 0.777 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.3 | -6.2 | -175.7 | -107.1 | 179.8 | 176.2 | 171.5 | -0.4 | 115.2 | T77 S78 P82 | T77-R80 PolarHBondContact O-N 3.45Å; S78-R80 PolarHBondContact O-N 2.95Å; R80-P82 VanDerWaalsContact O-CD 3.32Å; R80-P82 WeakPolarHBondContact O-CD 3.38Å |
| 81 | D | 57.3 | Low | 61.8 | Low | 113 Ų | 113 | 134.2 Ų | 134.2 | 60% | 0.604 | 68% | 0.676 | S | S | * | * | trans | -118.1 | 60.8 | 176.3 | -72 | -30.2 | 0 | 0 | 0 | 114.5 | Y83 S84 | D81-Y83 PolarHBondContact O-N 3.37Å; D81-S84 PolarHBondContact O-OG 3.2Å | ||
| 82 | P | 57.7 | Low | 60.6 | Low | 87 Ų | 87 | 135 Ų | 135 | 57% | 0.565 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | -11.5 | 165.5 | 27.7 | -31.1 | 0 | 0 | 0 | 112.8 | R80 | R80-P82 VanDerWaalsContact O-CD 3.32Å; R80-P82 WeakPolarHBondContact O-CD 3.38Å |
| 83 | Y | 55.8 | Low | 59.1 | Low | 191 Ų | 191 | 137.9 Ų | 137.9 | 75% | 0.749 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | -7.9 | -178.6 | -67.5 | -77.1 | 0 | 0 | 0 | 114.8 | D81 R85 F86 | D81-Y83 PolarHBondContact O-N 3.37Å; Y83-R85 PolarHBondContact O-N 3Å; Y83-F86 PolarHBondContact O-N 3.02Å |
| 84 | S | 57.9 | Low | 57.9 | Low | 79 Ų | 79 | 143.4 Ų | 143.4 | 55% | 0.552 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -69.8 | -15.4 | 178.1 | 61.6 | 0 | 0 | 0 | 0 | 113.9 | D81 F86 | D81-S84 PolarHBondContact O-OG 3.2Å; S84-F86 VanDerWaalsContact C-N 3.33Å; S84-F86 PolarHBondContact O-N 3.24Å |
| 85 | R | 58.7 | Low | 57.1 | Low | 229 Ų | 229 | 142.9 Ų | 142.9 | 86% | 0.864 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -78.3 | -10.2 | 176.6 | -72.9 | -171.1 | -163.3 | -179.7 | 6.4 | 115 | Y83 | Y83-R85 PolarHBondContact O-N 3Š|
| 86 | F | 59.5 | Low | 56.5 | Low | 173 Ų | 173 | 141 Ų | 141 | 76% | 0.759 | 73% | 0.727 | S | S | * | * | G | 310 helix | trans | -108.7 | 12.1 | -176.8 | -73.6 | -76.9 | 0 | 0 | 0 | 114.3 | Y83 S84 P88 | Y83-F86 PolarHBondContact O-N 3.02Å; S84-F86 VanDerWaalsContact C-N 3.33Å; S84-F86 PolarHBondContact O-N 3.24Å; F86-P88 WeakPolarHBondContact O-CD 3.03Å |
| 87 | L | 58.3 | Low | 56.2 | Low | 145 Ų | 145 | 144.5 Ų | 144.5 | 76% | 0.759 | 74% | 0.737 | S | S | * | * | trans | -85 | 103.1 | 168.8 | -77.9 | 163.9 | 0 | 0 | 0 | 109 | S89 | L87-S89 PolarHBondContact O-N 3.18Š| ||
| 88 | P | 55.2 | Low | 55.8 | Low | 110 Ų | 110 | 149.6 Ų | 149.6 | 71% | 0.714 | 76% | 0.755 | S | S | * | * | trans | -59.7 | 131.4 | 173.9 | 25.7 | -33.2 | 0 | 0 | 0 | 108.3 | F86 S90 | F86-P88 WeakPolarHBondContact O-CD 3.03Å; P88-S90 VanDerWaalsContact C-N 3.31Å; P88-S90 PolarHBondContact O-N 3.3Å | ||
| 89 | S | 52 | Low | 55.7 | Low | 125 Ų | 125 | 149.8 Ų | 149.8 | 87% | 0.874 | 76% | 0.756 | S | S | * | * | trans | -48.3 | 95.1 | 171 | -51.7 | 0 | 0 | 0 | 0 | 109.7 | L87 R91 | L87-S89 PolarHBondContact O-N 3.18Å; S89-R91 PolarHBondContact O-N 3.22Å | ||
| 90 | S | 52.4 | Low | 55.2 | Low | 97 Ų | 97 | 150.9 Ų | 150.9 | 68% | 0.678 | 76% | 0.761 | S | S | * | * | trans | -69.2 | 119.6 | 173.9 | 105.7 | 0 | 0 | 0 | 0 | 106.5 | P88 I92 | P88-S90 VanDerWaalsContact C-N 3.31Å; P88-S90 PolarHBondContact O-N 3.3Å; S90-I92 PolarHBondContact O-N 3.49Å | ||
| 91 | R | 48.6 | Very low | 54.9 | Low | 244 Ų | 244 | 146.6 Ų | 146.6 | 92% | 0.921 | 76% | 0.761 | S | S | * | * | trans | -50.5 | 102.6 | 174.5 | -70.1 | 173.3 | 178.1 | 176.5 | -1.1 | 109.6 | S89 | S89-R91 PolarHBondContact O-N 3.22Š| ||
| 92 | I | 59.7 | Low | 54.7 | Low | 147 Ų | 147 | 147.3 Ų | 147.3 | 75% | 0.754 | 77% | 0.77 | S | S | * | * | trans | -95.6 | 116 | 159 | -64.3 | 170.6 | 0 | 0 | 0 | 105.9 | S90 K94 | S90-I92 PolarHBondContact O-N 3.49Å; I92-K94 PolarHBondContact O-N 3.36Å | ||
| 93 | P | 53.6 | Low | 54.5 | Low | 111 Ų | 111 | 149.3 Ų | 149.3 | 72% | 0.721 | 78% | 0.776 | S | S | * | * | trans | -66.3 | 132.8 | -179.7 | 5.9 | 2.2 | 0 | 0 | 0 | 109.5 | K95 | P93-K95 VanDerWaalsContact C-N 3.33Å; P93-K95 PolarHBondContact O-N 3.26Å | ||
| 94 | K | 52.9 | Low | 54 | Low | 216 Ų | 216 | 149.9 Ų | 149.9 | 94% | 0.939 | 78% | 0.783 | S | S | * | * | trans | -54.2 | 97.1 | 163.3 | -78.5 | 177.1 | 173.8 | 178 | 0 | 108.4 | I92 S96 | I92-K94 PolarHBondContact O-N 3.36Å; K94-S96 PolarHBondContact O-N 3.37Å | ||
| 95 | K | 54 | Low | 54 | Low | 188 Ų | 188 | 151.6 Ų | 151.6 | 82% | 0.817 | 80% | 0.795 | S | S | * | * | trans | -78.8 | 111 | 160.4 | -111.1 | -176.6 | 177 | -178.4 | 0 | 107.2 | P93 F97 | P93-K95 VanDerWaalsContact C-N 3.33Å; P93-K95 PolarHBondContact O-N 3.26Å; K95-F97 PolarHBondContact O-N 3.36Å | ||
| 96 | S | 52.3 | Low | 53.7 | Low | 105 Ų | 105 | 147.4 Ų | 147.4 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | trans | -49.2 | 118.5 | 165.7 | 48 | 0 | 0 | 0 | 0 | 111 | K94 | K94-S96 PolarHBondContact O-N 3.37Š| ||
| 97 | F | 58.1 | Low | 53.6 | Low | 195 Ų | 195 | 147 Ų | 147 | 86% | 0.855 | 79% | 0.793 | S | S | * | * | trans | -95.4 | 105.7 | 162.9 | -98.8 | -92.1 | 0 | 0 | 0 | 108.5 | K95 | K95-F97 PolarHBondContact O-N 3.36Š| ||
| 98 | H | 53.4 | Low | 53.3 | Low | 188 Ų | 188 | 144.7 Ų | 144.7 | 87% | 0.87 | 79% | 0.787 | S | S | * | * | trans | -102.8 | 112.1 | 155.3 | -94 | -65.4 | 0 | 0 | 0 | 107.2 | ||||
| 99 | S | 57 | Low | 53.5 | Low | 101 Ų | 101 | 147.4 Ų | 147.4 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | trans | -169 | 132.3 | 142.4 | 50.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 100 | P | 47.2 | Very low | 53.7 | Low | 118 Ų | 118 | 146.8 Ų | 146.8 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | trans | -91.5 | 161.2 | -179.3 | 36.6 | -32.2 | 0 | 0 | 0 | 112 | ||||
| 101 | C | 50.9 | Low | 54 | Low | 116 Ų | 116 | 148.6 Ų | 148.6 | 78% | 0.784 | 79% | 0.788 | S | S | * | * | trans | 55.4 | 108 | 158.3 | -67.1 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 102 | T | 53.9 | Low | 54.4 | Low | 129 Ų | 129 | 143.6 Ų | 143.6 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | -178.9 | 119 | 118.8 | 21.7 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 103 | D | 52.8 | Low | 54.1 | Low | 129 Ų | 129 | 141.9 Ų | 141.9 | 69% | 0.69 | 77% | 0.774 | S | S | * | * | trans | 44.8 | 113.8 | 138.4 | -55.8 | -34.2 | 0 | 0 | 0 | 122 | ||||
| 104 | F | 46 | Very low | 53.7 | Low | 202 Ų | 202 | 141.5 Ų | 141.5 | 89% | 0.886 | 77% | 0.772 | S | S | * | * | trans | 43.7 | 89.5 | 141.2 | -68.2 | -89.2 | 0 | 0 | 0 | 117.6 | ||||
| 105 | S | 58 | Low | 53.6 | Low | 115 Ų | 115 | 139.1 Ų | 139.1 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | -127.5 | 118.4 | 153 | 43.2 | 0 | 0 | 0 | 0 | 110 | L107 | S105-L107 PolarHBondContact O-N 3.3Š| ||
| 106 | I | 51.2 | Low | 53.6 | Low | 141 Ų | 141 | 134.6 Ų | 134.6 | 72% | 0.723 | 75% | 0.754 | S | S | * | * | trans | -65.7 | 115.6 | -177.6 | -67.2 | 153.6 | 0 | 0 | 0 | 108 | P108 | I106-P108 WeakPolarHBondContact O-CD 3.49Š| ||
| 107 | L | 57.3 | Low | 53.7 | Low | 164 Ų | 164 | 135.5 Ų | 135.5 | 86% | 0.859 | 76% | 0.761 | S | S | * | * | trans | -84.7 | 118.5 | 169.3 | -101.3 | 141.9 | 0 | 0 | 0 | 108.1 | S105 M109 | S105-L107 PolarHBondContact O-N 3.3Å; L107-M109 PolarHBondContact O-N 3.41Å; L107-M109 VanDerWaalsContact O-N 3.14Å | ||
| 108 | P | 53.4 | Low | 53.2 | Low | 97 Ų | 97 | 134.2 Ų | 134.2 | 63% | 0.63 | 76% | 0.757 | S | S | * | * | trans | -67.9 | 114 | 179.8 | 25 | -31.6 | 0 | 0 | 0 | 110.3 | I106 S110 | I106-P108 WeakPolarHBondContact O-CD 3.49Å; P108-S110 PolarHBondContact O-N 2.74Å | ||
| 109 | M | 58.8 | Low | 52.9 | Low | 167 Ų | 167 | 134.4 Ų | 134.4 | 82% | 0.823 | 75% | 0.752 | S | S | * | * | trans | -78.4 | 111.1 | 170.8 | -178.8 | 166.7 | -92.4 | 0 | 0 | 108.9 | L107 I111 | L107-M109 PolarHBondContact O-N 3.41Å; L107-M109 VanDerWaalsContact O-N 3.14Å; M109-I111 HydrophobicContact CG-CG1 4.18Å | ||
| 110 | S | 56.8 | Low | 52.6 | Low | 112 Ų | 112 | 136.8 Ų | 136.8 | 78% | 0.783 | 76% | 0.755 | S | S | * | * | trans | -85.5 | 113 | 172.2 | 23.4 | 0 | 0 | 0 | 0 | 109.4 | P108 | P108-S110 PolarHBondContact O-N 2.74Š| ||
| 111 | I | 58.6 | Low | 53 | Low | 136 Ų | 136 | 139.4 Ų | 139.4 | 70% | 0.697 | 76% | 0.762 | S | S | * | * | trans | -96.8 | 120.1 | 175.1 | -59.8 | 174.6 | 0 | 0 | 0 | 108.2 | M109 V113 | M109-I111 HydrophobicContact CG-CG1 4.18Å; I111-V113 HydrophobicContact CG2-CG2 4.2Å | ||
| 112 | I | 56.3 | Low | 53.3 | Low | 138 Ų | 138 | 139 Ų | 139 | 71% | 0.708 | 76% | 0.756 | S | S | * | * | trans | -90.3 | 110.7 | 176.2 | -59.8 | 170.5 | 0 | 0 | 0 | 108.4 | ||||
| 113 | V | 53.3 | Low | 53.1 | Low | 111 Ų | 111 | 140.5 Ų | 140.5 | 67% | 0.673 | 75% | 0.754 | S | S | * | * | trans | -100.6 | 116 | 171.3 | -178.3 | 0 | 0 | 0 | 0 | 108.7 | I111 F115 | I111-V113 HydrophobicContact CG2-CG2 4.2Å; V113-F115 PolarHBondContact O-N 3.24Å | ||
| 114 | P | 46.3 | Very low | 53.3 | Low | 104 Ų | 104 | 139.4 Ų | 139.4 | 68% | 0.675 | 75% | 0.751 | S | S | * | * | trans | -75 | 114.1 | 176 | 27.8 | -30.4 | 0 | 0 | 0 | 110.3 | ||||
| 115 | F | 50.5 | Low | 53.2 | Low | 165 Ų | 165 | 137.8 Ų | 137.8 | 72% | 0.724 | 75% | 0.746 | S | S | * | * | trans | -112.1 | 116.9 | 170.1 | -149.6 | -96.3 | 0 | 0 | 0 | 109.8 | V113 S117 E118 | V113-F115 PolarHBondContact O-N 3.24Å; F115-S117 PolarHBondContact O-N 2.95Å; F115-E118 PolarHBondContact O-N 3.14Å | ||
| 116 | S | 53 | Low | 52.3 | Low | 94 Ų | 94 | 143.2 Ų | 143.2 | 66% | 0.657 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 7 | 75.5 | 168.2 | 61.7 | 0 | 0 | 0 | 0 | 117.7 | ||
| 117 | S | 55.5 | Low | 52.4 | Low | 124 Ų | 124 | 143.4 Ų | 143.4 | 87% | 0.867 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 87.2 | 1.3 | 164.2 | 62.5 | 0 | 0 | 0 | 0 | 120.5 | F115 | F115-S117 PolarHBondContact O-N 2.95Š|
| 118 | E | 47.3 | Very low | 52.1 | Low | 168 Ų | 168 | 142.3 Ų | 142.3 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | trans | -142.7 | 133.5 | 169.9 | -66.6 | -174.4 | 162.5 | 0 | 0 | 112 | F115 L120 | F115-E118 PolarHBondContact O-N 3.14Å; E118-L120 PolarHBondContact O-N 3.35Å | ||
| 119 | Y | 46.5 | Very low | 52 | Low | 192 Ų | 192 | 144.8 Ų | 144.8 | 75% | 0.753 | 76% | 0.763 | S | S | * | * | trans | -86.8 | 103.3 | 178.4 | -65.2 | -90.4 | 0 | 0 | 0 | 109.9 | L121 | Y119-L121 PolarHBondContact O-N 3.43Š| ||
| 120 | L | 50.5 | Low | 51.6 | Low | 150 Ų | 150 | 143.5 Ų | 143.5 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | trans | -87.2 | 105.9 | 174 | -152.6 | 142.9 | 0 | 0 | 0 | 109.2 | E118 V122 | E118-L120 PolarHBondContact O-N 3.35Å; L120-V122 HydrophobicContact CD2-CG2 3.39Å; L120-V122 PolarHBondContact O-N 2.85Å | ||
| 121 | L | 56.8 | Low | 51.3 | Low | 173 Ų | 173 | 145.4 Ų | 145.4 | 91% | 0.906 | 76% | 0.758 | S | S | * | * | trans | -74.6 | 98.8 | 173.6 | -82.1 | 161.6 | 0 | 0 | 0 | 109.4 | Y119 | Y119-L121 PolarHBondContact O-N 3.43Š| ||
| 122 | V | 55.9 | Low | 50.8 | Low | 107 Ų | 107 | 146.1 Ų | 146.1 | 65% | 0.648 | 76% | 0.762 | S | S | * | * | trans | -91.2 | 107.4 | 169.9 | -173.9 | 0 | 0 | 0 | 0 | 108.7 | L120 V124 | L120-V122 HydrophobicContact CD2-CG2 3.39Å; L120-V122 PolarHBondContact O-N 2.85Å; V122-V124 HydrophobicContact CG1-CG2 3.87Å; V122-V124 PolarHBondContact O-N 3.43Å | ||
| 123 | H | 49.4 | Very low | 50.4 | Low | 162 Ų | 162 | 146.6 Ų | 146.6 | 75% | 0.75 | 77% | 0.766 | S | S | * | * | trans | -86.4 | 93.6 | 173.6 | -160.6 | -73.4 | 0 | 0 | 0 | 108.9 | Q125 | H123-Q125 PolarHBondContact O-N 3.36Š| ||
| 124 | V | 57 | Low | 50.2 | Low | 106 Ų | 106 | 149.4 Ų | 149.4 | 64% | 0.642 | 77% | 0.773 | S | S | * | * | trans | -84 | 103.6 | 171.1 | -176.7 | 0 | 0 | 0 | 0 | 108 | V122 | V122-V124 HydrophobicContact CG1-CG2 3.87Å; V122-V124 PolarHBondContact O-N 3.43Å | ||
| 125 | Q | 45 | Very low | 50.5 | Low | 167 Ų | 167 | 153.2 Ų | 153.2 | 78% | 0.78 | 78% | 0.781 | S | S | * | * | trans | -77.5 | 118.8 | 164.6 | -81.2 | -177.2 | -27.1 | 0 | 0 | 108.9 | H123 | H123-Q125 PolarHBondContact O-N 3.36Š| ||
| 126 | Q | 39.1 | Very low | 50.5 | Low | 230 Ų | 230 | 152.1 Ų | 152.1 | 100% | 1.075 | 79% | 0.786 | S | S | * | * | trans | -141.5 | 0 | 152.7 | -77 | -167.1 | -23.3 | 0 | 0 | 108.5 |
Retrieved 126 of 126 residues in 19.1 ms
(Link to these results)