| 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 | 49.3 | Very low | 54.8 | Low | 199 Ų | 199 | 134.1 Ų | 134.1 | 98% | 0.98 | 64% | 0.641 | S | S | * | * | 0 | -39.8 | 0 | 50.3 | 171.4 | 75.3 | 0 | 0 | 113.7 | L3 | M1-L3 PolarHBondContact O-N 3.16Š| |||
| 2 | W | 49.9 | Very low | 54.2 | Low | 206 Ų | 206 | 138.3 Ų | 138.3 | 78% | 0.78 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -69.7 | -21.2 | -179.4 | -78.8 | 86.3 | 0 | 0 | 0 | 116.9 | ||
| 3 | L | 54.3 | Low | 54.1 | Low | 136 Ų | 136 | 132.2 Ų | 132.2 | 71% | 0.712 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -75.7 | -38.1 | -178.2 | -129.5 | 82.9 | 0 | 0 | 0 | 112.5 | M1 D5 R6 I7 | M1-L3 PolarHBondContact O-N 3.16Å; L3-D5 VanDerWaalsContact C-N 3.31Å; L3-D5 PolarHBondContact O-N 2.69Å; L3-R6 PolarHBondContact O-N 3.33Å; L3-I7 HydrophobicContact CD2-CD1 4.47Å; L3-I7 VanDerWaalsContact O-CD1 3.27Å; L3-I7 WeakPolarHBondContact O-CD1 3.38Å; L3-I7 WeakPolarHBondContact O-CG1 3.3Å; L3-I7 PolarHBondContact O-N 3.11Å; L3-I7 VanDerWaalsContact O-N 3.17Å |
| 4 | Q | 57.7 | Low | 54.1 | Low | 150 Ų | 150 | 138.8 Ų | 138.8 | 70% | 0.701 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -65.7 | -35.9 | -177.6 | -78 | 176.1 | -43.6 | 0 | 0 | 112.1 | I7 A8 | Q4-I7 PolarHBondContact O-N 3.42Å; Q4-A8 WeakPolarHBondContact O-CB 3.37Å; Q4-A8 PolarHBondContact O-N 3.37Å |
| 5 | D | 55.1 | Low | 54.4 | Low | 119 Ų | 119 | 134.4 Ų | 134.4 | 64% | 0.636 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -66.8 | -38.9 | -179.7 | -140.8 | -97.9 | 0 | 0 | 0 | 112 | L3 T9 | L3-D5 VanDerWaalsContact C-N 3.31Å; L3-D5 PolarHBondContact O-N 2.69Å; D5-T9 PolarHBondContact O-N 3.16Å; D5-T9 VanDerWaalsContact O-N 3.16Å; D5-T9 PolarHBondContact O-OG1 2.93Å |
| 6 | R | 58.1 | Low | 54.5 | Low | 197 Ų | 197 | 129.9 Ų | 129.9 | 74% | 0.743 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -71.7 | -34.8 | 175.3 | -73 | -164.6 | 177.6 | -157.4 | 1 | 113.1 | L3 F10 | L3-R6 PolarHBondContact O-N 3.33Å; R6-F10 PolarHBondContact O-N 3.27Å |
| 7 | I | 57.9 | Low | 54.9 | Low | 88 Ų | 88 | 132 Ų | 132 | 45% | 0.451 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -70.3 | -43.1 | 177.3 | -61.9 | 159.6 | 0 | 0 | 0 | 109.7 | L3 Q4 T9 F10 F11 | L3-I7 HydrophobicContact CD2-CD1 4.47Å; L3-I7 VanDerWaalsContact O-CD1 3.27Å; L3-I7 WeakPolarHBondContact O-CD1 3.38Å; L3-I7 WeakPolarHBondContact O-CG1 3.3Å; L3-I7 PolarHBondContact O-N 3.11Å; L3-I7 VanDerWaalsContact O-N 3.17Å; Q4-I7 PolarHBondContact O-N 3.42Å; I7-T9 VanDerWaalsContact C-N 3.29Å; I7-T9 PolarHBondContact O-N 2.8Å; I7-F10 WeakPolarHBondContact O-CB 3.45Å; I7-F10 PolarHBondContact O-N 2.72Å; I7-F10 VanDerWaalsContact O-N 3.11Å; I7-F11 HydrophobicContact CG2-CD2 4.13Å; I7-F11 HydrophobicContact CG2-CE2 3.99Å; I7-F11 WeakPolarHBondContact O-CD2 3.26Å; I7-F11 PolarHBondContact O-N 3.5Å |
| 8 | A | 56.3 | Low | 55.2 | Low | 52 Ų | 52 | 132.8 Ų | 132.8 | 43% | 0.43 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -61.3 | -37.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q4 F10 F11 | Q4-A8 WeakPolarHBondContact O-CB 3.37Å; Q4-A8 PolarHBondContact O-N 3.37Å; A8-F10 VanDerWaalsContact C-N 3.3Å; A8-F10 PolarHBondContact O-N 2.88Å; A8-F11 PolarHBondContact O-N 3.08Å |
| 9 | T | 55.6 | Low | 56 | Low | 101 Ų | 101 | 129.4 Ų | 129.4 | 62% | 0.62 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -64.8 | -33.1 | 175.9 | -50.8 | 0 | 0 | 0 | 0 | 112.3 | D5 I7 F11 | D5-T9 PolarHBondContact O-N 3.16Å; D5-T9 VanDerWaalsContact O-N 3.16Å; D5-T9 PolarHBondContact O-OG1 2.93Å; I7-T9 VanDerWaalsContact C-N 3.29Å; I7-T9 PolarHBondContact O-N 2.8Å; T9-F11 VanDerWaalsContact C-N 3.34Å |
| 10 | F | 56.2 | Low | 56.9 | Low | 112 Ų | 112 | 123.7 Ų | 123.7 | 49% | 0.491 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -71.4 | -27.8 | 176.5 | -154.3 | -91.8 | 0 | 0 | 0 | 112.9 | R6 I7 A8 P13 M16 L23 | R6-F10 PolarHBondContact O-N 3.27Å; I7-F10 WeakPolarHBondContact O-CB 3.45Å; I7-F10 PolarHBondContact O-N 2.72Å; I7-F10 VanDerWaalsContact O-N 3.11Å; A8-F10 VanDerWaalsContact C-N 3.3Å; A8-F10 PolarHBondContact O-N 2.88Å; F10-P13 WeakPolarHBondContact O-CD 3.2Å; F10-M16 HydrophobicContact CD1-CE 4.46Å; F10-M16 HydrophobicContact CE1-CE 3.74Å; F10-M16 HydrophobicContact CZ-CE 3.82Å; F10-L23 HydrophobicContact CE1-CD1 4.43Å |
| 11 | F | 52.2 | Low | 57.6 | Low | 115 Ų | 115 | 120.7 Ų | 120.7 | 50% | 0.504 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -80 | -12.7 | 179.3 | -91.1 | -101.8 | 0 | 0 | 0 | 114 | I7 A8 T9 T20 | I7-F11 HydrophobicContact CG2-CD2 4.13Å; I7-F11 HydrophobicContact CG2-CE2 3.99Å; I7-F11 WeakPolarHBondContact O-CD2 3.26Å; I7-F11 PolarHBondContact O-N 3.5Å; A8-F11 PolarHBondContact O-N 3.08Å; T9-F11 VanDerWaalsContact C-N 3.34Å; F11-T20 HydrophobicContact CD1-CG2 4.09Å; F11-T20 HydrophobicContact CE1-CG2 3.41Å; F11-T20 VanDerWaalsContact CE1-CG2 3.41Å; F11-T20 HydrophobicContact CE2-CG2 3.97Å; F11-T20 HydrophobicContact CZ-CG2 3.33Å |
| 12 | F | 47.3 | Very low | 58.9 | Low | 185 Ų | 185 | 113.7 Ų | 113.7 | 81% | 0.811 | 59% | 0.587 | S | S | * | * | trans | -112.1 | 36.1 | -168.8 | -94.1 | -78.8 | 0 | 0 | 0 | 118.1 | ||||
| 13 | P | 53.1 | Low | 60.1 | Low | 58 Ų | 58 | 107.6 Ų | 107.6 | 38% | 0.377 | 57% | 0.569 | S | S | . | * | S | Bend | trans | -103.4 | 124.1 | 147.4 | 31.7 | -23.1 | 0 | 0 | 0 | 108.8 | F10 G15 M16 | F10-P13 WeakPolarHBondContact O-CD 3.2Å; P13-G15 PolarHBondContact O-N 2.78Å; P13-M16 HydrophobicContact CG-CB 4.09Å; P13-M16 HydrophobicContact CG-CG 3.88Å; P13-M16 HydrophobicContact CG-SD 3.52Å; P13-M16 VanDerWaalsContact CG-SD 3.52Å; P13-M16 PolarHBondContact O-N 2.91Å; P13-M16 VanDerWaalsContact O-N 3.16Å |
| 14 | K | 54.8 | Low | 61.1 | Low | 225 Ų | 225 | 107.2 Ų | 107.2 | 98% | 0.978 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51 | 2.3 | -175.1 | -115.3 | 179.4 | 170.6 | 80.6 | 0 | 116.8 | ||
| 15 | G | 58.2 | Low | 62.1 | Low | 73 Ų | 73 | 105.9 Ų | 105.9 | 75% | 0.753 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.6 | 6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | P13 | P13-G15 PolarHBondContact O-N 2.78Š|
| 16 | M | 56.9 | Low | 63 | Low | 63 Ų | 63 | 106 Ų | 106 | 31% | 0.31 | 56% | 0.557 | S | S | . | * | trans | -109.4 | 15.3 | -174.7 | -74.9 | -173.7 | 67.4 | 0 | 0 | 115.3 | F10 P13 L18 T19 T20 | F10-M16 HydrophobicContact CD1-CE 4.46Å; F10-M16 HydrophobicContact CE1-CE 3.74Å; F10-M16 HydrophobicContact CZ-CE 3.82Å; P13-M16 HydrophobicContact CG-CB 4.09Å; P13-M16 HydrophobicContact CG-CG 3.88Å; P13-M16 HydrophobicContact CG-SD 3.52Å; P13-M16 VanDerWaalsContact CG-SD 3.52Å; P13-M16 PolarHBondContact O-N 2.91Å; P13-M16 VanDerWaalsContact O-N 3.16Å; M16-L18 PolarHBondContact O-N 3.29Å; M16-T19 WeakPolarHBondContact CA-OG1 3.36Å; M16-T19 VanDerWaalsContact CB-OG1 3.3Å; M16-T19 WeakPolarHBondContact CB-OG1 3.26Å; M16-T19 PolarHBondContact O-N 3.23Å; M16-T19 PolarHBondContact O-OG1 3.35Å; M16-T20 PolarHBondContact O-N 2.94Å; M16-T20 VanDerWaalsContact O-N 3.08Å; M16-T20 PolarHBondContact O-OG1 3.2Å | ||
| 17 | M | 60.1 | Low | 63.7 | Low | 165 Ų | 165 | 102.8 Ų | 102.8 | 81% | 0.813 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -58.3 | -33 | 177.6 | -72 | -171.2 | 161.4 | 0 | 0 | 112.7 | A21 | M17-A21 VanDerWaalsContact O-CB 3.26Å; M17-A21 WeakPolarHBondContact O-CB 3.37Å; M17-A21 PolarHBondContact O-N 3.2Å |
| 18 | L | 60.4 | Low | 64.7 | Low | 147 Ų | 147 | 103.3 Ų | 103.3 | 77% | 0.77 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -74.9 | -39.7 | -178.3 | -146.3 | 149 | 0 | 0 | 0 | 111.9 | M16 A21 A22 | M16-L18 PolarHBondContact O-N 3.29Å; L18-A21 PolarHBondContact O-N 2.95Å; L18-A22 WeakPolarHBondContact O-CB 3.19Å; L18-A22 PolarHBondContact O-N 3.3Å |
| 19 | T | 71.2 | Confident | 65.6 | Low | 68 Ų | 68 | 107.5 Ų | 107.5 | 42% | 0.417 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65 | -40.1 | 173.5 | 31.9 | 0 | 0 | 0 | 0 | 112 | M16 L23 | M16-T19 WeakPolarHBondContact CA-OG1 3.36Å; M16-T19 VanDerWaalsContact CB-OG1 3.3Å; M16-T19 WeakPolarHBondContact CB-OG1 3.26Å; M16-T19 PolarHBondContact O-N 3.23Å; M16-T19 PolarHBondContact O-OG1 3.35Å; T19-L23 WeakPolarHBondContact O-CB 3.41Å; T19-L23 VanDerWaalsContact O-CG 3.26Å; T19-L23 WeakPolarHBondContact O-CG 3.25Å; T19-L23 PolarHBondContact O-N 3.17Å |
| 20 | T | 73.1 | Confident | 66.2 | Low | 15 Ų | 15 | 105.9 Ų | 105.9 | 9% | 0.092 | 55% | 0.55 | C | S | . | . | H | α-helix | trans | -69.1 | -44.9 | 177.2 | -57.5 | 0 | 0 | 0 | 0 | 111.6 | F11 M16 A22 L23 M24 | F11-T20 HydrophobicContact CD1-CG2 4.09Å; F11-T20 HydrophobicContact CE1-CG2 3.41Å; F11-T20 VanDerWaalsContact CE1-CG2 3.41Å; F11-T20 HydrophobicContact CE2-CG2 3.97Å; F11-T20 HydrophobicContact CZ-CG2 3.33Å; M16-T20 PolarHBondContact O-N 2.94Å; M16-T20 VanDerWaalsContact O-N 3.08Å; M16-T20 PolarHBondContact O-OG1 3.2Å; T20-A22 VanDerWaalsContact C-N 3.34Å; T20-A22 PolarHBondContact O-N 3.43Å; T20-L23 PolarHBondContact O-N 2.96Å; T20-M24 WeakPolarHBondContact O-CG 3.44Å; T20-M24 PolarHBondContact O-N 2.84Å |
| 21 | A | 73.1 | Confident | 67 | Low | 60 Ų | 60 | 102.3 Ų | 102.3 | 50% | 0.496 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.5 | -42.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | M17 L18 M24 L25 | M17-A21 VanDerWaalsContact O-CB 3.26Å; M17-A21 WeakPolarHBondContact O-CB 3.37Å; M17-A21 PolarHBondContact O-N 3.2Å; L18-A21 PolarHBondContact O-N 2.95Å; A21-M24 PolarHBondContact O-N 3.22Å; A21-L25 WeakPolarHBondContact O-CB 2.97Å; A21-L25 PolarHBondContact O-N 3.4Å |
| 22 | A | 76.1 | Confident | 68 | Low | 53 Ų | 53 | 101.8 Ų | 101.8 | 44% | 0.438 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.8 | -41.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L18 T20 L25 F26 | L18-A22 WeakPolarHBondContact O-CB 3.19Å; L18-A22 PolarHBondContact O-N 3.3Å; T20-A22 VanDerWaalsContact C-N 3.34Å; T20-A22 PolarHBondContact O-N 3.43Å; A22-L25 PolarHBondContact O-N 3.37Å; A22-F26 VanDerWaalsContact O-CB 3.25Å; A22-F26 WeakPolarHBondContact O-CB 3.32Å; A22-F26 PolarHBondContact O-N 3.46Å |
| 23 | L | 74.2 | Confident | 69.1 | Low | 77 Ų | 77 | 99.2 Ų | 99.2 | 40% | 0.403 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65 | -44.1 | 175 | -77 | 170.9 | 0 | 0 | 0 | 111.7 | F10 T19 T20 L25 F26 F27 | F10-L23 HydrophobicContact CE1-CD1 4.43Å; T19-L23 WeakPolarHBondContact O-CB 3.41Å; T19-L23 VanDerWaalsContact O-CG 3.26Å; T19-L23 WeakPolarHBondContact O-CG 3.25Å; T19-L23 PolarHBondContact O-N 3.17Å; T20-L23 PolarHBondContact O-N 2.96Å; L23-L25 VanDerWaalsContact C-N 3.32Å; L23-L25 PolarHBondContact O-N 2.95Å; L23-F26 WeakPolarHBondContact O-CB 3.27Å; L23-F26 PolarHBondContact O-N 3.42Å; L23-F27 HydrophobicContact CB-CD2 4.48Å; L23-F27 HydrophobicContact CB-CE2 4.26Å; L23-F27 HydrophobicContact CD2-CE2 4.49Å; L23-F27 WeakPolarHBondContact O-CD2 3.23Å; L23-F27 PolarHBondContact O-N 2.94Å |
| 24 | M | 75.5 | Confident | 70 | Confident | 129 Ų | 129 | 101.2 Ų | 101.2 | 64% | 0.635 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.7 | -40.8 | 176.5 | -70.8 | -167 | 80 | 0 | 0 | 111.9 | T20 A21 F26 F27 L28 | T20-M24 WeakPolarHBondContact O-CG 3.44Å; T20-M24 PolarHBondContact O-N 2.84Å; A21-M24 PolarHBondContact O-N 3.22Å; M24-F26 VanDerWaalsContact C-N 3.34Å; M24-F27 PolarHBondContact O-N 2.89Å; M24-L28 WeakPolarHBondContact O-CB 3.13Å; M24-L28 PolarHBondContact O-N 2.84Å |
| 25 | L | 79.4 | Confident | 70.7 | Confident | 122 Ų | 122 | 100 Ų | 100 | 64% | 0.639 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66.1 | -39 | 175.5 | -162.2 | 72.2 | 0 | 0 | 0 | 111.3 | A21 A22 L23 L28 H29 | A21-L25 WeakPolarHBondContact O-CB 2.97Å; A21-L25 PolarHBondContact O-N 3.4Å; A22-L25 PolarHBondContact O-N 3.37Å; L23-L25 VanDerWaalsContact C-N 3.32Å; L23-L25 PolarHBondContact O-N 2.95Å; L25-L28 PolarHBondContact O-N 3.42Å; L25-H29 WeakPolarHBondContact O-CB 3.46Å; L25-H29 PolarHBondContact O-N 3.45Å |
| 26 | F | 74.4 | Confident | 71.1 | Confident | 122 Ų | 122 | 101.3 Ų | 101.3 | 54% | 0.535 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63 | -44.7 | 174.4 | 179.8 | -100.5 | 0 | 0 | 0 | 111.9 | A22 L23 M24 H29 L30 | A22-F26 VanDerWaalsContact O-CB 3.25Å; A22-F26 WeakPolarHBondContact O-CB 3.32Å; A22-F26 PolarHBondContact O-N 3.46Å; L23-F26 WeakPolarHBondContact O-CB 3.27Å; L23-F26 PolarHBondContact O-N 3.42Å; M24-F26 VanDerWaalsContact C-N 3.34Å; F26-H29 PolarHBondContact O-N 3.31Å; F26-L30 HydrophobicContact CE1-CD2 4.42Å; F26-L30 VanDerWaalsContact O-CB 3.27Å; F26-L30 WeakPolarHBondContact O-CB 3.33Å; F26-L30 PolarHBondContact O-N 2.82Å |
| 27 | F | 72.6 | Confident | 71.5 | Confident | 128 Ų | 128 | 101.6 Ų | 101.6 | 56% | 0.561 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66.8 | -35.6 | 176.1 | -73.5 | -60.9 | 0 | 0 | 0 | 112.8 | L23 M24 H29 G31 | L23-F27 HydrophobicContact CB-CD2 4.48Å; L23-F27 HydrophobicContact CB-CE2 4.26Å; L23-F27 HydrophobicContact CD2-CE2 4.49Å; L23-F27 WeakPolarHBondContact O-CD2 3.23Å; L23-F27 PolarHBondContact O-N 2.94Å; M24-F27 PolarHBondContact O-N 2.89Å; F27-H29 VanDerWaalsContact C-N 3.34Å; F27-G31 PolarHBondContact O-N 3.04Å |
| 28 | L | 78.1 | Confident | 71.9 | Confident | 99 Ų | 99 | 99.2 Ų | 99.2 | 52% | 0.518 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.4 | -42.8 | 173.5 | -175.5 | 143.7 | 0 | 0 | 0 | 110.8 | M24 L25 G31 I32 | M24-L28 WeakPolarHBondContact O-CB 3.13Å; M24-L28 PolarHBondContact O-N 2.84Å; L25-L28 PolarHBondContact O-N 3.42Å; L28-G31 PolarHBondContact O-N 3.46Å; L28-I32 HydrophobicContact CD2-CD1 3.64Å; L28-I32 HydrophobicContact CG-CD1 4.36Å; L28-I32 WeakPolarHBondContact O-CG1 3.37Å; L28-I32 PolarHBondContact O-N 3.43Å |
| 29 | H | 75.3 | Confident | 72 | Confident | 140 Ų | 140 | 97 Ų | 97 | 65% | 0.648 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.3 | -44.8 | 176.8 | -152.4 | 59.7 | 0 | 0 | 0 | 111.8 | L25 F26 F27 G31 I32 F33 | L25-H29 WeakPolarHBondContact O-CB 3.46Å; L25-H29 PolarHBondContact O-N 3.45Å; F26-H29 PolarHBondContact O-N 3.31Å; F27-H29 VanDerWaalsContact C-N 3.34Å; H29-G31 VanDerWaalsContact C-N 3.32Å; H29-G31 PolarHBondContact O-N 2.91Å; H29-I32 PolarHBondContact O-N 2.75Å; H29-F33 WeakPolarHBondContact O-CB 3.27Å; H29-F33 PolarHBondContact O-N 2.76Å |
| 30 | L | 68.8 | Low | 71.5 | Confident | 67 Ų | 67 | 97.5 Ų | 97.5 | 35% | 0.351 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.1 | -37.8 | 175.6 | -170.8 | 71 | 0 | 0 | 0 | 111.6 | F26 F33 I34 | F26-L30 HydrophobicContact CE1-CD2 4.42Å; F26-L30 VanDerWaalsContact O-CB 3.27Å; F26-L30 WeakPolarHBondContact O-CB 3.33Å; F26-L30 PolarHBondContact O-N 2.82Å; L30-F33 PolarHBondContact O-N 3Å; L30-I34 HydrophobicContact CD1-CD1 4.42Å; L30-I34 HydrophobicContact CD2-CD1 4.25Å; L30-I34 HydrophobicContact CG-CD1 3.79Å; L30-I34 HydrophobicContact CG-CG1 4.34Å; L30-I34 WeakPolarHBondContact O-CB 3.41Å; L30-I34 WeakPolarHBondContact O-CG1 3.4Å; L30-I34 PolarHBondContact O-N 3.28Å |
| 31 | G | 72.3 | Confident | 70.9 | Confident | 38 Ų | 38 | 100.5 Ų | 100.5 | 39% | 0.392 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.9 | -42.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | F27 L28 H29 F33 R35 | F27-G31 PolarHBondContact O-N 3.04Å; L28-G31 PolarHBondContact O-N 3.46Å; H29-G31 VanDerWaalsContact C-N 3.32Å; H29-G31 PolarHBondContact O-N 2.91Å; G31-F33 VanDerWaalsContact C-N 3.33Å; G31-R35 VanDerWaalsContact O-CB 3.26Å; G31-R35 WeakPolarHBondContact O-CB 3.34Å; G31-R35 PolarHBondContact O-N 2.93Å |
| 32 | I | 74.3 | Confident | 70.3 | Confident | 104 Ų | 104 | 102.6 Ų | 102.6 | 53% | 0.533 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.6 | -43.1 | 173.4 | -65 | 162.5 | 0 | 0 | 0 | 109.9 | L28 H29 R35 D36 | L28-I32 HydrophobicContact CD2-CD1 3.64Å; L28-I32 HydrophobicContact CG-CD1 4.36Å; L28-I32 WeakPolarHBondContact O-CG1 3.37Å; L28-I32 PolarHBondContact O-N 3.43Å; H29-I32 PolarHBondContact O-N 2.75Å; I32-R35 PolarHBondContact O-N 3.23Å; I32-D36 WeakPolarHBondContact O-CB 3.17Å; I32-D36 PolarHBondContact O-N 3.01Å |
| 33 | F | 70.1 | Confident | 69.3 | Low | 130 Ų | 130 | 104.1 Ų | 104.1 | 57% | 0.57 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.1 | -47.1 | 177.5 | -177.8 | -100.8 | 0 | 0 | 0 | 112.6 | H29 L30 G31 R35 D36 V37 | H29-F33 WeakPolarHBondContact O-CB 3.27Å; H29-F33 PolarHBondContact O-N 2.76Å; L30-F33 PolarHBondContact O-N 3Å; G31-F33 VanDerWaalsContact C-N 3.33Å; F33-R35 VanDerWaalsContact C-N 3.29Å; F33-R35 PolarHBondContact O-N 3.45Å; F33-D36 PolarHBondContact O-N 2.8Å; F33-V37 HydrophobicContact CD1-CG2 4.17Å; F33-V37 HydrophobicContact CE1-CG2 3.81Å; F33-V37 HydrophobicContact CE2-CG2 4.17Å; F33-V37 HydrophobicContact CZ-CG2 3.82Å; F33-V37 WeakPolarHBondContact O-CB 3.49Å; F33-V37 VanDerWaalsContact O-CG2 3.26Å; F33-V37 WeakPolarHBondContact O-CG2 3.44Å; F33-V37 PolarHBondContact O-N 2.92Å |
| 34 | I | 71.5 | Confident | 68.1 | Low | 100 Ų | 100 | 103.1 Ų | 103.1 | 51% | 0.513 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.7 | -40.6 | 176.2 | -70.9 | 165.8 | 0 | 0 | 0 | 110.3 | L30 V37 H38 | L30-I34 HydrophobicContact CD1-CD1 4.42Å; L30-I34 HydrophobicContact CD2-CD1 4.25Å; L30-I34 HydrophobicContact CG-CD1 3.79Å; L30-I34 HydrophobicContact CG-CG1 4.34Å; L30-I34 WeakPolarHBondContact O-CB 3.41Å; L30-I34 WeakPolarHBondContact O-CG1 3.4Å; L30-I34 PolarHBondContact O-N 3.28Å; I34-V37 PolarHBondContact O-N 3.28Å; I34-H38 WeakPolarHBondContact O-CB 3.22Å; I34-H38 PolarHBondContact O-N 2.78Å |
| 35 | R | 69.2 | Low | 66.8 | Low | 201 Ų | 201 | 104 Ų | 104 | 76% | 0.758 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -68.5 | -38.2 | 179.2 | -169.9 | 167.1 | -179.8 | -151 | -0 | 112 | G31 I32 F33 H38 N39 | G31-R35 VanDerWaalsContact O-CB 3.26Å; G31-R35 WeakPolarHBondContact O-CB 3.34Å; G31-R35 PolarHBondContact O-N 2.93Å; I32-R35 PolarHBondContact O-N 3.23Å; F33-R35 VanDerWaalsContact C-N 3.29Å; F33-R35 PolarHBondContact O-N 3.45Å; R35-H38 PolarHBondContact O-N 2.8Å; R35-N39 WeakPolarHBondContact O-CB 3.01Å; R35-N39 PolarHBondContact O-N 3.41Å |
| 36 | D | 66.6 | Low | 65.2 | Low | 100 Ų | 100 | 108.3 Ų | 108.3 | 54% | 0.535 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.9 | -48.6 | 173.5 | -166.6 | 69.1 | 0 | 0 | 0 | 110.6 | I32 F33 H38 N39 F40 | I32-D36 WeakPolarHBondContact O-CB 3.17Å; I32-D36 PolarHBondContact O-N 3.01Å; F33-D36 PolarHBondContact O-N 2.8Å; D36-H38 VanDerWaalsContact C-N 3.3Å; D36-H38 PolarHBondContact O-N 3.39Å; D36-N39 PolarHBondContact O-N 3.45Å; D36-F40 WeakPolarHBondContact O-CA 2.89Å; D36-F40 WeakPolarHBondContact O-CB 2.86Å; D36-F40 PolarHBondContact O-N 3.41Å |
| 37 | V | 66.4 | Low | 63.9 | Low | 69 Ų | 69 | 107.2 Ų | 107.2 | 42% | 0.418 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.8 | -36.4 | 174.2 | 171 | 0 | 0 | 0 | 0 | 112.3 | F33 I34 C41 | F33-V37 HydrophobicContact CD1-CG2 4.17Å; F33-V37 HydrophobicContact CE1-CG2 3.81Å; F33-V37 HydrophobicContact CE2-CG2 4.17Å; F33-V37 HydrophobicContact CZ-CG2 3.82Å; F33-V37 WeakPolarHBondContact O-CB 3.49Å; F33-V37 VanDerWaalsContact O-CG2 3.26Å; F33-V37 WeakPolarHBondContact O-CG2 3.44Å; F33-V37 PolarHBondContact O-N 2.92Å; I34-V37 PolarHBondContact O-N 3.28Å; V37-C41 WeakPolarHBondContact O-CB 3.08Å; V37-C41 PolarHBondContact O-N 3.38Å |
| 38 | H | 67.2 | Low | 62.8 | Low | 115 Ų | 115 | 108.4 Ų | 108.4 | 53% | 0.532 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -73.7 | -43.9 | 178.5 | -178.5 | -96.2 | 0 | 0 | 0 | 111.5 | I34 R35 D36 F40 C41 I42 | I34-H38 WeakPolarHBondContact O-CB 3.22Å; I34-H38 PolarHBondContact O-N 2.78Å; R35-H38 PolarHBondContact O-N 2.8Å; D36-H38 VanDerWaalsContact C-N 3.3Å; D36-H38 PolarHBondContact O-N 3.39Å; H38-F40 VanDerWaalsContact C-N 3.26Å; H38-F40 PolarHBondContact O-N 3.36Å; H38-C41 PolarHBondContact O-N 3.48Å; H38-I42 WeakPolarHBondContact CE1-CD1 3.35Å; H38-I42 WeakPolarHBondContact O-CB 3.26Å; H38-I42 VanDerWaalsContact O-CG1 3.32Å; H38-I42 WeakPolarHBondContact O-CG1 3.4Å; H38-I42 PolarHBondContact O-N 3.3Å |
| 39 | N | 63.4 | Low | 61.2 | Low | 99 Ų | 99 | 112.3 Ų | 112.3 | 53% | 0.529 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61.4 | -40.5 | 172.5 | -176.9 | 69.2 | 0 | 0 | 0 | 111.1 | R35 D36 T43 | R35-N39 WeakPolarHBondContact O-CB 3.01Å; R35-N39 PolarHBondContact O-N 3.41Å; D36-N39 PolarHBondContact O-N 3.45Å; N39-T43 VanDerWaalsContact O-CB 3.31Å; N39-T43 WeakPolarHBondContact O-CB 3.08Å; N39-T43 PolarHBondContact O-N 2.95Å; N39-T43 PolarHBondContact O-OG1 2.85Å |
| 40 | F | 61 | Low | 59.9 | Low | 80 Ų | 80 | 110.1 Ų | 110.1 | 35% | 0.351 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.5 | -55.6 | 173.8 | -164.2 | -97.4 | 0 | 0 | 0 | 109.8 | D36 H38 I42 T43 Y44 F51 | D36-F40 WeakPolarHBondContact O-CA 2.89Å; D36-F40 WeakPolarHBondContact O-CB 2.86Å; D36-F40 PolarHBondContact O-N 3.41Å; H38-F40 VanDerWaalsContact C-N 3.26Å; H38-F40 PolarHBondContact O-N 3.36Å; F40-I42 VanDerWaalsContact C-N 3.33Å; F40-I42 PolarHBondContact O-N 3.44Å; F40-T43 CarbonylContact O-C 3.41Å; F40-T43 WeakPolarHBondContact O-CA 3.29Å; F40-T43 PolarHBondContact O-N 2.82Å; F40-Y44 AromaticContact CD1-CD2 3.56Å; F40-Y44 HydrophobicContact CD1-CD2 3.56Å; F40-Y44 HydrophobicContact CD1-CE2 4.41Å; F40-Y44 HydrophobicContact CD1-CG 4.08Å; F40-Y44 HydrophobicContact CD2-CD2 4.35Å; F40-Y44 AromaticContact CE1-CD2 2.89Å; F40-Y44 HydrophobicContact CE1-CD2 2.89Å; F40-Y44 AromaticContact CE1-CE2 3.38Å; F40-Y44 HydrophobicContact CE1-CE2 3.38Å; F40-Y44 AromaticContact CE1-CG 3.61Å; F40-Y44 HydrophobicContact CE1-CG 3.61Å; F40-Y44 AromaticContact CE2-CD2 3.82Å; F40-Y44 HydrophobicContact CE2-CD2 3.82Å; F40-Y44 AromaticContact CE2-CE2 3.95Å; F40-Y44 HydrophobicContact CE2-CE2 3.95Å; F40-Y44 HydrophobicContact CG-CD2 4.22Å; F40-Y44 AromaticContact CZ-CD2 3.03Å; F40-Y44 HydrophobicContact CZ-CD2 3.03Å; F40-Y44 AromaticContact CZ-CE2 3.07Å; F40-Y44 HydrophobicContact CZ-CE2 3.07Å; F40-Y44 HydrophobicContact CZ-CG 4.15Å; F40-Y44 WeakPolarHBondContact O-CA 3.32Å; F40-Y44 WeakPolarHBondContact O-CB 3.26Å; F40-Y44 PolarHBondContact O-N 3.32Å; F40-F51 HydrophobicContact CD1-CE1 4.36Å; F40-F51 AromaticContact CE1-CD1 3.85Å; F40-F51 HydrophobicContact CE1-CD1 3.85Å; F40-F51 AromaticContact CE1-CE1 3.13Å; F40-F51 HydrophobicContact CE1-CE1 3.13Å; F40-F51 HydrophobicContact CE1-CE2 4.11Å; F40-F51 AromaticContact CE1-CZ 3.31Å; F40-F51 HydrophobicContact CE1-CZ 3.31Å; F40-F51 HydrophobicContact CE2-CZ 4.14Å; F40-F51 HydrophobicContact CZ-CD1 4.21Å; F40-F51 HydrophobicContact CZ-CD2 4.32Å; F40-F51 AromaticContact CZ-CE1 3.41Å; F40-F51 HydrophobicContact CZ-CE1 3.41Å; F40-F51 VanDerWaalsContact CZ-CE1 3.41Å; F40-F51 AromaticContact CZ-CE2 3.48Å; F40-F51 HydrophobicContact CZ-CE2 3.48Å; F40-F51 VanDerWaalsContact CZ-CE2 3.48Å; F40-F51 AromaticContact CZ-CZ 2.99Å; F40-F51 HydrophobicContact CZ-CZ 2.99Å |
| 41 | C | 60.1 | Low | 58.9 | Low | 77 Ų | 77 | 109.5 Ų | 109.5 | 52% | 0.52 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -55.8 | -41.4 | 178.6 | -172.9 | 0 | 0 | 0 | 0 | 113.1 | V37 H38 Y44 H45 | V37-C41 WeakPolarHBondContact O-CB 3.08Å; V37-C41 PolarHBondContact O-N 3.38Å; H38-C41 PolarHBondContact O-N 3.48Å; C41-Y44 PolarHBondContact O-N 3.38Å; C41-H45 WeakPolarHBondContact O-CB 3.15Å; C41-H45 PolarHBondContact O-N 2.72Å |
| 42 | I | 60.5 | Low | 57.9 | Low | 104 Ų | 104 | 115.5 Ų | 115.5 | 53% | 0.533 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -66.5 | -40 | 175.2 | -72.5 | 177.4 | 0 | 0 | 0 | 111.4 | H38 F40 | H38-I42 WeakPolarHBondContact CE1-CD1 3.35Å; H38-I42 WeakPolarHBondContact O-CB 3.26Å; H38-I42 VanDerWaalsContact O-CG1 3.32Å; H38-I42 WeakPolarHBondContact O-CG1 3.4Å; H38-I42 PolarHBondContact O-N 3.3Å; F40-I42 VanDerWaalsContact C-N 3.33Å; F40-I42 PolarHBondContact O-N 3.44Å |
| 43 | T | 53.7 | Low | 56.5 | Low | 86 Ų | 86 | 120 Ų | 120 | 53% | 0.528 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -74.6 | -29.7 | 175.1 | -55 | 0 | 0 | 0 | 0 | 111.4 | N39 F40 Y46 | N39-T43 VanDerWaalsContact O-CB 3.31Å; N39-T43 WeakPolarHBondContact O-CB 3.08Å; N39-T43 PolarHBondContact O-N 2.95Å; N39-T43 PolarHBondContact O-OG1 2.85Å; F40-T43 CarbonylContact O-C 3.41Å; F40-T43 WeakPolarHBondContact O-CA 3.29Å; F40-T43 PolarHBondContact O-N 2.82Å; T43-Y46 VanDerWaalsContact O-CB 3.25Å; T43-Y46 WeakPolarHBondContact O-CB 3.1Å; T43-Y46 PolarHBondContact O-N 3.4Å |
| 44 | Y | 48.8 | Very low | 55.4 | Low | 55 Ų | 55 | 116.6 Ų | 116.6 | 22% | 0.216 | 57% | 0.565 | C | S | . | * | H | α-helix | trans | -76.6 | -34.1 | -175.9 | -130.3 | -83.1 | 0 | 0 | 0 | 112.9 | F40 C41 Y46 D47 F51 | F40-Y44 AromaticContact CD1-CD2 3.56Å; F40-Y44 HydrophobicContact CD1-CD2 3.56Å; F40-Y44 HydrophobicContact CD1-CE2 4.41Å; F40-Y44 HydrophobicContact CD1-CG 4.08Å; F40-Y44 HydrophobicContact CD2-CD2 4.35Å; F40-Y44 AromaticContact CE1-CD2 2.89Å; F40-Y44 HydrophobicContact CE1-CD2 2.89Å; F40-Y44 AromaticContact CE1-CE2 3.38Å; F40-Y44 HydrophobicContact CE1-CE2 3.38Å; F40-Y44 AromaticContact CE1-CG 3.61Å; F40-Y44 HydrophobicContact CE1-CG 3.61Å; F40-Y44 AromaticContact CE2-CD2 3.82Å; F40-Y44 HydrophobicContact CE2-CD2 3.82Å; F40-Y44 AromaticContact CE2-CE2 3.95Å; F40-Y44 HydrophobicContact CE2-CE2 3.95Å; F40-Y44 HydrophobicContact CG-CD2 4.22Å; F40-Y44 AromaticContact CZ-CD2 3.03Å; F40-Y44 HydrophobicContact CZ-CD2 3.03Å; F40-Y44 AromaticContact CZ-CE2 3.07Å; F40-Y44 HydrophobicContact CZ-CE2 3.07Å; F40-Y44 HydrophobicContact CZ-CG 4.15Å; F40-Y44 WeakPolarHBondContact O-CA 3.32Å; F40-Y44 WeakPolarHBondContact O-CB 3.26Å; F40-Y44 PolarHBondContact O-N 3.32Å; C41-Y44 PolarHBondContact O-N 3.38Å; Y44-Y46 PolarHBondContact O-N 3.48Å; Y44-Y46 VanDerWaalsContact O-N 3.07Å; Y44-D47 PolarHBondContact O-N 2.77Å; Y44-D47 VanDerWaalsContact O-N 3.14Å; Y44-F51 HydrophobicContact CD1-CB 3.88Å; Y44-F51 HydrophobicContact CD1-CD1 4.05Å; Y44-F51 HydrophobicContact CD1-CG 4.01Å; Y44-F51 HydrophobicContact CD2-CD1 4.25Å; Y44-F51 HydrophobicContact CD2-CD2 4.49Å; Y44-F51 HydrophobicContact CD2-CE1 4.43Å; Y44-F51 HydrophobicContact CD2-CG 4.32Å; Y44-F51 HydrophobicContact CE1-CB 2.93Å; Y44-F51 AromaticContact CE1-CD1 3.75Å; Y44-F51 HydrophobicContact CE1-CD1 3.75Å; Y44-F51 AromaticContact CE1-CD2 3.85Å; Y44-F51 HydrophobicContact CE1-CD2 3.85Å; Y44-F51 AromaticContact CE1-CG 3.24Å; Y44-F51 HydrophobicContact CE1-CG 3.24Å; Y44-F51 HydrophobicContact CE2-CB 4.15Å; Y44-F51 AromaticContact CE2-CD1 3.82Å; Y44-F51 HydrophobicContact CE2-CD1 3.82Å; Y44-F51 AromaticContact CE2-CD2 3.38Å; Y44-F51 HydrophobicContact CE2-CD2 3.38Å; Y44-F51 HydrophobicContact CE2-CE1 4.08Å; Y44-F51 AromaticContact CE2-CE2 3.58Å; Y44-F51 HydrophobicContact CE2-CE2 3.58Å; Y44-F51 AromaticContact CE2-CG 3.5Å; Y44-F51 HydrophobicContact CE2-CG 3.5Å; Y44-F51 AromaticContact CE2-CZ 3.99Å; Y44-F51 HydrophobicContact CE2-CZ 3.99Å; Y44-F51 HydrophobicContact CG-CD1 4.35Å; Y44-F51 AromaticContact CZ-CD1 3.63Å; Y44-F51 AromaticContact CZ-CD2 3.02Å; Y44-F51 AromaticContact CZ-CE2 3.76Å; Y44-F51 AromaticContact CZ-CG 2.93Å; Y44-F51 WeakPolarHBondContact OH-CB 2.78Å; Y44-F51 WeakPolarHBondContact OH-CD2 3.16Å; Y44-F51 WeakPolarHBondContact OH-CG 3.12Å |
| 45 | H | 49.3 | Very low | 54.5 | Low | 149 Ų | 149 | 115.6 Ų | 115.6 | 69% | 0.69 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | -10.4 | 171.3 | -161.3 | -76.7 | 0 | 0 | 0 | 112.1 | C41 | C41-H45 WeakPolarHBondContact O-CB 3.15Å; C41-H45 PolarHBondContact O-N 2.72Å |
| 46 | Y | 46.5 | Very low | 53.6 | Low | 212 Ų | 212 | 110 Ų | 110 | 83% | 0.831 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | -18.3 | 175.5 | -140.3 | -89.8 | 0 | 0 | 0 | 114.4 | T43 Y44 | T43-Y46 VanDerWaalsContact O-CB 3.25Å; T43-Y46 WeakPolarHBondContact O-CB 3.1Å; T43-Y46 PolarHBondContact O-N 3.4Å; Y44-Y46 PolarHBondContact O-N 3.48Å; Y44-Y46 VanDerWaalsContact O-N 3.07Å |
| 47 | D | 46.2 | Very low | 52.8 | Low | 99 Ų | 99 | 111.3 Ų | 111.3 | 53% | 0.529 | 56% | 0.558 | S | S | . | * | trans | -128.4 | 55.6 | -173.5 | -161.2 | -101 | 0 | 0 | 0 | 112.3 | Y44 M49 | Y44-D47 PolarHBondContact O-N 2.77Å; Y44-D47 VanDerWaalsContact O-N 3.14Å; D47-M49 PolarHBondContact O-N 2.95Å | ||
| 48 | H | 50.1 | Low | 52.1 | Low | 152 Ų | 152 | 115.6 Ų | 115.6 | 70% | 0.704 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | 38.4 | -172.7 | -136 | -66.1 | 0 | 0 | 0 | 115.2 | ||
| 49 | M | 44.6 | Very low | 51.2 | Low | 181 Ų | 181 | 115 Ų | 115 | 89% | 0.892 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.3 | -11.8 | 176.5 | -84.6 | -74.6 | -166.4 | 0 | 0 | 116.7 | D47 | D47-M49 PolarHBondContact O-N 2.95Š|
| 50 | S | 46.5 | Very low | 50.4 | Low | 94 Ų | 94 | 114.1 Ų | 114.1 | 66% | 0.657 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -151.8 | 55.8 | -175.1 | -170.1 | 0 | 0 | 0 | 0 | 117.6 | ||
| 51 | F | 48.3 | Very low | 49.8 | Very low | 55 Ų | 55 | 115.4 Ų | 115.4 | 24% | 0.241 | 60% | 0.599 | C | S | . | * | trans | -143.4 | 13.2 | -179 | -144.9 | -108.1 | 0 | 0 | 0 | 117.4 | F40 Y44 Y53 T54 V55 | F40-F51 HydrophobicContact CD1-CE1 4.36Å; F40-F51 AromaticContact CE1-CD1 3.85Å; F40-F51 HydrophobicContact CE1-CD1 3.85Å; F40-F51 AromaticContact CE1-CE1 3.13Å; F40-F51 HydrophobicContact CE1-CE1 3.13Å; F40-F51 HydrophobicContact CE1-CE2 4.11Å; F40-F51 AromaticContact CE1-CZ 3.31Å; F40-F51 HydrophobicContact CE1-CZ 3.31Å; F40-F51 HydrophobicContact CE2-CZ 4.14Å; F40-F51 HydrophobicContact CZ-CD1 4.21Å; F40-F51 HydrophobicContact CZ-CD2 4.32Å; F40-F51 AromaticContact CZ-CE1 3.41Å; F40-F51 HydrophobicContact CZ-CE1 3.41Å; F40-F51 VanDerWaalsContact CZ-CE1 3.41Å; F40-F51 AromaticContact CZ-CE2 3.48Å; F40-F51 HydrophobicContact CZ-CE2 3.48Å; F40-F51 VanDerWaalsContact CZ-CE2 3.48Å; F40-F51 AromaticContact CZ-CZ 2.99Å; F40-F51 HydrophobicContact CZ-CZ 2.99Å; Y44-F51 HydrophobicContact CD1-CB 3.88Å; Y44-F51 HydrophobicContact CD1-CD1 4.05Å; Y44-F51 HydrophobicContact CD1-CG 4.01Å; Y44-F51 HydrophobicContact CD2-CD1 4.25Å; Y44-F51 HydrophobicContact CD2-CD2 4.49Å; Y44-F51 HydrophobicContact CD2-CE1 4.43Å; Y44-F51 HydrophobicContact CD2-CG 4.32Å; Y44-F51 HydrophobicContact CE1-CB 2.93Å; Y44-F51 AromaticContact CE1-CD1 3.75Å; Y44-F51 HydrophobicContact CE1-CD1 3.75Å; Y44-F51 AromaticContact CE1-CD2 3.85Å; Y44-F51 HydrophobicContact CE1-CD2 3.85Å; Y44-F51 AromaticContact CE1-CG 3.24Å; Y44-F51 HydrophobicContact CE1-CG 3.24Å; Y44-F51 HydrophobicContact CE2-CB 4.15Å; Y44-F51 AromaticContact CE2-CD1 3.82Å; Y44-F51 HydrophobicContact CE2-CD1 3.82Å; Y44-F51 AromaticContact CE2-CD2 3.38Å; Y44-F51 HydrophobicContact CE2-CD2 3.38Å; Y44-F51 HydrophobicContact CE2-CE1 4.08Å; Y44-F51 AromaticContact CE2-CE2 3.58Å; Y44-F51 HydrophobicContact CE2-CE2 3.58Å; Y44-F51 AromaticContact CE2-CG 3.5Å; Y44-F51 HydrophobicContact CE2-CG 3.5Å; Y44-F51 AromaticContact CE2-CZ 3.99Å; Y44-F51 HydrophobicContact CE2-CZ 3.99Å; Y44-F51 HydrophobicContact CG-CD1 4.35Å; Y44-F51 AromaticContact CZ-CD1 3.63Å; Y44-F51 AromaticContact CZ-CD2 3.02Å; Y44-F51 AromaticContact CZ-CE2 3.76Å; Y44-F51 AromaticContact CZ-CG 2.93Å; Y44-F51 WeakPolarHBondContact OH-CB 2.78Å; Y44-F51 WeakPolarHBondContact OH-CD2 3.16Å; Y44-F51 WeakPolarHBondContact OH-CG 3.12Å; F51-Y53 PolarHBondContact O-N 3.14Å; F51-T54 VanDerWaalsContact CD1-OG1 3.29Å; F51-T54 WeakPolarHBondContact CD1-OG1 3.44Å; F51-T54 HydrophobicContact CD2-CG2 4.09Å; F51-T54 WeakPolarHBondContact CD2-OG1 3.05Å; F51-T54 WeakPolarHBondContact CE1-OG1 3.46Å; F51-T54 HydrophobicContact CE2-CG2 3.89Å; F51-T54 WeakPolarHBondContact CE2-OG1 3.37Å; F51-T54 WeakPolarHBondContact CG-OG1 3.42Å; F51-T54 HydrophobicContact CZ-CG2 4.46Å; F51-T54 WeakPolarHBondContact CZ-OG1 3.44Å; F51-T54 PolarHBondContact O-OG1 3.07Å; F51-V55 HydrophobicContact CD1-CG2 3.5Å; F51-V55 HydrophobicContact CE1-CG2 3.3Å; F51-V55 HydrophobicContact CZ-CG2 4.42Å | ||
| 52 | H | 51.1 | Low | 49.2 | Very low | 164 Ų | 164 | 119.2 Ų | 119.2 | 76% | 0.759 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | -12.6 | 167.8 | -91.5 | -79.7 | 0 | 0 | 0 | 112.9 | V56 | H52-V56 VanDerWaalsContact O-CG2 3.23Å; H52-V56 WeakPolarHBondContact O-CG2 3.32Å |
| 53 | Y | 44.6 | Very low | 48.6 | Very low | 199 Ų | 199 | 120 Ų | 120 | 78% | 0.78 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.9 | -29.6 | -176.4 | -83.2 | -82.3 | 0 | 0 | 0 | 114.7 | F51 L57 | F51-Y53 PolarHBondContact O-N 3.14Å; Y53-L57 WeakPolarHBondContact O-CB 3.41Å; Y53-L57 PolarHBondContact O-N 3.31Å |
| 54 | T | 48.2 | Very low | 48 | Very low | 58 Ų | 58 | 122 Ų | 122 | 36% | 0.356 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -82 | -37.4 | -174.1 | 44.1 | 0 | 0 | 0 | 0 | 112.9 | F51 L57 M58 | F51-T54 VanDerWaalsContact CD1-OG1 3.29Å; F51-T54 WeakPolarHBondContact CD1-OG1 3.44Å; F51-T54 HydrophobicContact CD2-CG2 4.09Å; F51-T54 WeakPolarHBondContact CD2-OG1 3.05Å; F51-T54 WeakPolarHBondContact CE1-OG1 3.46Å; F51-T54 HydrophobicContact CE2-CG2 3.89Å; F51-T54 WeakPolarHBondContact CE2-OG1 3.37Å; F51-T54 WeakPolarHBondContact CG-OG1 3.42Å; F51-T54 HydrophobicContact CZ-CG2 4.46Å; F51-T54 WeakPolarHBondContact CZ-OG1 3.44Å; F51-T54 PolarHBondContact O-OG1 3.07Å; T54-L57 WeakPolarHBondContact O-CB 3.17Å; T54-L57 PolarHBondContact O-N 3.01Å; T54-M58 PolarHBondContact O-N 3.31Å |
| 55 | V | 53.2 | Low | 48.2 | Very low | 78 Ų | 78 | 125 Ų | 125 | 47% | 0.473 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -67 | -40.2 | 174.2 | -175.6 | 0 | 0 | 0 | 0 | 110.6 | F51 L57 M58 C59 | F51-V55 HydrophobicContact CD1-CG2 3.5Å; F51-V55 HydrophobicContact CE1-CG2 3.3Å; F51-V55 HydrophobicContact CZ-CG2 4.42Å; V55-L57 VanDerWaalsContact C-N 3.35Å; V55-M58 PolarHBondContact O-N 2.72Å; V55-C59 WeakPolarHBondContact O-CB 3.17Å; V55-C59 PolarHBondContact O-N 3.46Å |
| 56 | V | 48.7 | Very low | 48.1 | Very low | 85 Ų | 85 | 122.3 Ų | 122.3 | 52% | 0.515 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -63.3 | -42.6 | 172.7 | 178.9 | 0 | 0 | 0 | 0 | 109.9 | H52 M58 C59 S60 | H52-V56 VanDerWaalsContact O-CG2 3.23Å; H52-V56 WeakPolarHBondContact O-CG2 3.32Å; V56-M58 PolarHBondContact O-N 3.07Å; V56-C59 PolarHBondContact O-N 2.62Å; V56-S60 WeakPolarHBondContact O-CB 3.25Å; V56-S60 PolarHBondContact O-N 3.32Å; V56-S60 PolarHBondContact O-OG 3.34Å |
| 57 | L | 50.1 | Low | 48.2 | Very low | 126 Ų | 126 | 119.3 Ų | 119.3 | 66% | 0.66 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -60.4 | -43.6 | 177 | -131.8 | 90.1 | 0 | 0 | 0 | 113.4 | Y53 T54 V55 T61 | Y53-L57 WeakPolarHBondContact O-CB 3.41Å; Y53-L57 PolarHBondContact O-N 3.31Å; T54-L57 WeakPolarHBondContact O-CB 3.17Å; T54-L57 PolarHBondContact O-N 3.01Å; V55-L57 VanDerWaalsContact C-N 3.35Å; L57-T61 PolarHBondContact O-N 2.93Å; L57-T61 PolarHBondContact O-OG1 2.89Å |
| 58 | M | 51.3 | Low | 48.3 | Very low | 159 Ų | 159 | 118.7 Ų | 118.7 | 78% | 0.783 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -71.1 | -39.6 | 180 | -94.5 | -91.6 | -177.1 | 0 | 0 | 112.6 | T54 V55 V56 | T54-M58 PolarHBondContact O-N 3.31Å; V55-M58 PolarHBondContact O-N 2.72Å; V56-M58 PolarHBondContact O-N 3.07Å |
| 59 | C | 48.8 | Very low | 48 | Very low | 102 Ų | 102 | 117.3 Ų | 117.3 | 69% | 0.689 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -80.2 | -24.3 | 177.5 | -76.1 | 0 | 0 | 0 | 0 | 114 | V55 V56 T61 | V55-C59 WeakPolarHBondContact O-CB 3.17Å; V55-C59 PolarHBondContact O-N 3.46Å; V56-C59 PolarHBondContact O-N 2.62Å; C59-T61 VanDerWaalsContact C-N 3.3Å |
| 60 | S | 47.1 | Very low | 47.9 | Very low | 82 Ų | 82 | 113.7 Ų | 113.7 | 57% | 0.573 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -81 | -10.2 | 171.6 | -63.6 | 0 | 0 | 0 | 0 | 113.1 | V56 E62 | V56-S60 WeakPolarHBondContact O-CB 3.25Å; V56-S60 PolarHBondContact O-N 3.32Å; V56-S60 PolarHBondContact O-OG 3.34Å; S60-E62 PolarHBondContact O-N 3.36Å |
| 61 | T | 47.4 | Very low | 47.5 | Very low | 106 Ų | 106 | 121.5 Ų | 121.5 | 65% | 0.65 | 69% | 0.688 | S | S | * | * | trans | -79.7 | 65.6 | 165.7 | -48.9 | 0 | 0 | 0 | 0 | 108.1 | L57 C59 | L57-T61 PolarHBondContact O-N 2.93Å; L57-T61 PolarHBondContact O-OG1 2.89Å; C59-T61 VanDerWaalsContact C-N 3.3Å | ||
| 62 | E | 48.9 | Very low | 47.5 | Very low | 157 Ų | 157 | 123.7 Ų | 123.7 | 73% | 0.734 | 71% | 0.71 | S | S | * | * | trans | -50.7 | 143 | 165.9 | -65.6 | -165.5 | 89.9 | 0 | 0 | 108.9 | S60 C64 | S60-E62 PolarHBondContact O-N 3.36Å; E62-C64 PolarHBondContact O-N 2.99Å | ||
| 63 | P | 48.1 | Very low | 47.1 | Very low | 121 Ų | 121 | 124.8 Ų | 124.8 | 79% | 0.786 | 71% | 0.713 | S | S | * | * | trans | -62.8 | 111.7 | 168.9 | 27.7 | -29.9 | 0 | 0 | 0 | 105.8 | S65 | P63-S65 VanDerWaalsContact C-N 3.31Å; P63-S65 PolarHBondContact O-N 2.86Å | ||
| 64 | C | 40.6 | Very low | 46.8 | Very low | 127 Ų | 127 | 126.4 Ų | 126.4 | 86% | 0.858 | 72% | 0.718 | S | S | * | * | trans | -46 | 101.8 | 169.1 | -98.5 | 0 | 0 | 0 | 0 | 108.5 | E62 S66 | E62-C64 PolarHBondContact O-N 2.99Å; C64-S66 PolarHBondContact O-N 3.46Å | ||
| 65 | S | 52 | Low | 46.4 | Very low | 119 Ų | 119 | 127.8 Ų | 127.8 | 83% | 0.832 | 73% | 0.728 | S | S | * | * | trans | -67.4 | 90.3 | 162.5 | -179.4 | 0 | 0 | 0 | 0 | 105.7 | P63 | P63-S65 VanDerWaalsContact C-N 3.31Å; P63-S65 PolarHBondContact O-N 2.86Å | ||
| 66 | S | 48.2 | Very low | 45.6 | Very low | 93 Ų | 93 | 128.1 Ų | 128.1 | 65% | 0.65 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -176.2 | 121.7 | 148.4 | -81 | 0 | 0 | 0 | 0 | 108.3 | C64 A68 | C64-S66 PolarHBondContact O-N 3.46Å; S66-A68 PolarHBondContact O-N 3.26Å |
| 67 | T | 48.7 | Very low | 45.3 | Very low | 149 Ų | 149 | 128.4 Ų | 128.4 | 91% | 0.914 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -25.6 | 122.5 | 150.7 | -17.5 | 0 | 0 | 0 | 0 | 110.6 | ||
| 68 | A | 48.2 | Very low | 45.2 | Very low | 86 Ų | 86 | 129.7 Ų | 129.7 | 71% | 0.711 | 75% | 0.753 | S | S | * | * | trans | 94 | 83.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | S66 | S66-A68 PolarHBondContact O-N 3.26Š| ||
| 69 | C | 42.7 | Very low | 44.7 | Very low | 122 Ų | 122 | 125.7 Ų | 125.7 | 82% | 0.824 | 75% | 0.753 | S | S | * | * | -148 | 116.6 | 124.1 | -90.8 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 70 | P | 43.8 | Very low | 44.1 | Very low | 106 Ų | 106 | 132.2 Ų | 132.2 | 69% | 0.688 | 76% | 0.763 | S | S | * | * | trans | -71.5 | 134.3 | 177.5 | 30.3 | -30.2 | 0 | 0 | 0 | 108.3 | S72 | P70-S72 PolarHBondContact O-N 3.27Š| ||
| 71 | W | 37.8 | Very low | 43.8 | Very low | 258 Ų | 258 | 133 Ų | 133 | 98% | 0.977 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -69.4 | 42.3 | 174 | -117.9 | 72 | 0 | 0 | 0 | 112.5 | ||
| 72 | S | 48.9 | Very low | 43.4 | Very low | 101 Ų | 101 | 133.3 Ų | 133.3 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | trans | -118.6 | 54.6 | -175.2 | -49.2 | 0 | 0 | 0 | 0 | 110.3 | P70 | P70-S72 PolarHBondContact O-N 3.27Š| ||
| 73 | F | 42.1 | Very low | 43.1 | Very low | 186 Ų | 186 | 131 Ų | 131 | 82% | 0.816 | 77% | 0.767 | S | S | * | * | trans | -136.4 | 62.4 | 158.9 | -156.3 | -101.3 | 0 | 0 | 0 | 110.3 | P75 | F73-P75 HydrophobicContact CE1-CG 4.16Å; F73-P75 HydrophobicContact CE2-CG 4.27Å; F73-P75 HydrophobicContact CZ-CG 4.01Å | ||
| 74 | W | 37.7 | Very low | 42.8 | Very low | 234 Ų | 234 | 134.1 Ų | 134.1 | 89% | 0.886 | 77% | 0.771 | S | S | * | * | trans | -113.3 | 97.5 | 155.9 | -163.3 | -76.9 | 0 | 0 | 0 | 108.4 | ||||
| 75 | P | 40.6 | Very low | 42.6 | Very low | 86 Ų | 86 | 132.6 Ų | 132.6 | 56% | 0.558 | 77% | 0.768 | S | S | * | * | trans | -97.2 | 101.2 | 155.4 | 24.6 | -8.9 | 0 | 0 | 0 | 106.9 | F73 | F73-P75 HydrophobicContact CE1-CG 4.16Å; F73-P75 HydrophobicContact CE2-CG 4.27Å; F73-P75 HydrophobicContact CZ-CG 4.01Å | ||
| 76 | S | 36.4 | Very low | 42.3 | Very low | 86 Ų | 86 | 139.6 Ų | 139.6 | 60% | 0.601 | 78% | 0.776 | S | S | * | * | 62.1 | 105.5 | 89.7 | -150 | 0 | 0 | 0 | 0 | 113 | |||||
| 77 | S | 40.8 | Very low | 41.8 | Very low | 91 Ų | 91 | 138.4 Ų | 138.4 | 64% | 0.636 | 78% | 0.779 | S | S | * | * | trans | 54.9 | 114.4 | 138.2 | 58.6 | 0 | 0 | 0 | 0 | 119.2 | G79 | S77-G79 PolarHBondContact O-N 2.75Š| ||
| 78 | T | 49.3 | Very low | 41.6 | Very low | 152 Ų | 152 | 138.6 Ų | 138.6 | 93% | 0.933 | 78% | 0.779 | S | S | * | * | trans | -24.7 | 118 | 130.8 | 26.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 79 | G | 39.6 | Very low | 41.2 | Very low | 76 Ų | 76 | 138 Ų | 138 | 78% | 0.784 | 78% | 0.781 | S | S | * | * | trans | 163.8 | 85.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | S77 | S77-G79 PolarHBondContact O-N 2.75Š| ||
| 80 | R | 37 | Very low | 41.5 | Very low | 238 Ų | 238 | 139.3 Ų | 139.3 | 90% | 0.898 | 79% | 0.785 | S | S | * | * | trans | -77.8 | 134.2 | 170.4 | 174.8 | -175.8 | -83.1 | 147 | -7.3 | 109.7 | ||||
| 81 | S | 40.8 | Very low | 41.5 | Very low | 100 Ų | 100 | 137.5 Ų | 137.5 | 70% | 0.699 | 79% | 0.786 | S | S | * | * | trans | 62.2 | 139.3 | 161.9 | -81.1 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 82 | T | 39.9 | Very low | 41.9 | Very low | 111 Ų | 111 | 133.2 Ų | 133.2 | 68% | 0.681 | 78% | 0.781 | S | S | * | * | cis | -171.2 | 140.7 | 15.8 | 14.4 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 83 | T | 42.8 | Very low | 41.7 | Very low | 109 Ų | 109 | 140 Ų | 140 | 67% | 0.669 | 79% | 0.792 | S | S | * | * | trans | 47.4 | 146.8 | 144.6 | 57.4 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 84 | E | 41.7 | Very low | 42 | Very low | 186 Ų | 186 | 143.5 Ų | 143.5 | 87% | 0.869 | 80% | 0.799 | S | S | * | * | trans | 78.1 | 131.5 | 158.8 | -27.7 | -171.5 | -174.6 | 0 | 0 | 113.8 | ||||
| 85 | A | 36.5 | Very low | 42.4 | Very low | 95 Ų | 95 | 135.4 Ų | 135.4 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | cis | -158.2 | 160.9 | 7 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 86 | W | 45.5 | Very low | 42.5 | Very low | 267 Ų | 267 | 141.4 Ų | 141.4 | 100% | 1.011 | 81% | 0.806 | S | S | * | * | trans | -56.2 | 139.4 | 167.6 | -78.4 | 56.8 | 0 | 0 | 0 | 111.6 | ||||
| 87 | G | 37.1 | Very low | 42.7 | Very low | 68 Ų | 68 | 145.9 Ų | 145.9 | 70% | 0.701 | 82% | 0.818 | S | S | * | * | trans | 169.3 | 96.9 | 168.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 88 | V | 45.3 | Very low | 42.9 | Very low | 153 Ų | 153 | 151.2 Ų | 151.2 | 93% | 0.927 | 83% | 0.829 | S | S | * | * | trans | 30.7 | 118.5 | 134.7 | -176.9 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 89 | G | 38.1 | Very low | 42.6 | Very low | 72 Ų | 72 | 148.1 Ų | 148.1 | 74% | 0.742 | 82% | 0.819 | S | S | * | * | trans | -179.3 | 57.4 | 168.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | G91 | G89-G91 PolarHBondContact O-N 3.21Š| ||
| 90 | T | 49 | Very low | 42.8 | Very low | 150 Ų | 150 | 147.8 Ų | 147.8 | 92% | 0.92 | 81% | 0.809 | S | S | * | * | trans | -61.1 | 116.8 | 157.3 | 45.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 91 | G | 44 | Very low | 43.2 | Very low | 69 Ų | 69 | 140 Ų | 140 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | trans | 159.4 | 123.4 | 167.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | G89 | G89-G91 PolarHBondContact O-N 3.21Š| ||
| 92 | L | 46.8 | Very low | 43.3 | Very low | 167 Ų | 167 | 137.5 Ų | 137.5 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | trans | 84.3 | 96.1 | 147.1 | -140.2 | 76.2 | 0 | 0 | 0 | 117.7 | ||||
| 93 | R | 44.3 | Very low | 43.6 | Very low | 244 Ų | 244 | 136.7 Ų | 136.7 | 92% | 0.921 | 78% | 0.776 | S | S | * | * | -171.9 | 69.7 | 123.3 | -100.2 | 167.3 | -177.4 | -124.9 | 0.2 | 111.5 | |||||
| 94 | R | 49.4 | Very low | 43.9 | Very low | 259 Ų | 259 | 137.8 Ų | 137.8 | 98% | 0.977 | 78% | 0.777 | S | S | * | * | trans | -92.6 | 105.5 | 161.9 | -168.5 | 171.7 | -176.5 | 160.7 | -1 | 107.2 | ||||
| 95 | G | 44.8 | Very low | 44.5 | Very low | 65 Ų | 65 | 134 Ų | 134 | 67% | 0.67 | 76% | 0.762 | S | S | * | * | S | Bend | trans | 134.8 | 99.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 96 | K | 42.9 | Very low | 44.9 | Very low | 212 Ų | 212 | 137.6 Ų | 137.6 | 92% | 0.922 | 76% | 0.76 | S | S | * | * | S | Bend | trans | 148.3 | 34.9 | 156.2 | -76.7 | -80 | 178.6 | 174.4 | 0 | 112.3 | ||
| 97 | Q | 40.5 | Very low | 45 | Very low | 179 Ų | 179 | 130.8 Ų | 130.8 | 84% | 0.836 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -116.7 | 3.6 | 173.5 | -138.9 | 177.5 | 32.7 | 0 | 0 | 114.2 | ||
| 98 | K | 44.6 | Very low | 45.5 | Very low | 203 Ų | 203 | 134 Ų | 134 | 88% | 0.883 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -96.2 | -7.6 | -176.4 | -62.6 | -155.1 | 177.2 | -152.8 | 0 | 115.6 | ||
| 99 | A | 44.4 | Very low | 45.4 | Very low | 87 Ų | 87 | 135.5 Ų | 135.5 | 72% | 0.719 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -91.4 | -29.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 100 | A | 44.3 | Very low | 45.6 | Very low | 70 Ų | 70 | 141.8 Ų | 141.8 | 58% | 0.579 | 75% | 0.752 | S | S | * | * | H | α-helix | trans | -81.3 | -23.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | G102 | A100-G102 VanDerWaalsContact C-N 3.35Å; A100-G102 PolarHBondContact O-N 2.79Å |
| 101 | S | 44.8 | Very low | 45.4 | Very low | 73 Ų | 73 | 141.4 Ų | 141.4 | 51% | 0.51 | 74% | 0.744 | S | S | . | * | H | α-helix | trans | -73.1 | -25.7 | -176.8 | -167.2 | 0 | 0 | 0 | 0 | 113.4 | I105 | S101-I105 WeakPolarHBondContact O-CD1 3.31Å |
| 102 | G | 42.9 | Very low | 45.5 | Very low | 49 Ų | 49 | 145.2 Ų | 145.2 | 51% | 0.505 | 75% | 0.745 | S | S | . | * | H | α-helix | trans | -76.5 | -28.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | A100 | A100-G102 VanDerWaalsContact C-N 3.35Å; A100-G102 PolarHBondContact O-N 2.79Å |
| 103 | V | 46.7 | Very low | 45.4 | Very low | 93 Ų | 93 | 144 Ų | 144 | 56% | 0.564 | 74% | 0.738 | S | S | * | * | H | α-helix | trans | -78.9 | -37.9 | -178.5 | 177.9 | 0 | 0 | 0 | 0 | 111.1 | I105 K106 L107 | V103-I105 VanDerWaalsContact C-N 3.34Å; V103-I105 PolarHBondContact O-N 3.45Å; V103-K106 PolarHBondContact O-N 3.25Å; V103-L107 HydrophobicContact CG1-CD1 4.25Å; V103-L107 PolarHBondContact O-N 3.5Å |
| 104 | L | 47.8 | Very low | 45.5 | Very low | 133 Ų | 133 | 138.1 Ų | 138.1 | 70% | 0.696 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -65.1 | -36.6 | 177.9 | -112.3 | 108.7 | 0 | 0 | 0 | 112.8 | K106 L108 | L104-K106 VanDerWaalsContact C-N 3.32Å; L104-K106 PolarHBondContact O-N 3.44Å; L104-L108 PolarHBondContact O-N 3.26Å |
| 105 | I | 55.6 | Low | 45.3 | Very low | 105 Ų | 105 | 130.6 Ų | 130.6 | 54% | 0.538 | 71% | 0.712 | S | S | . | * | H | α-helix | trans | -70.9 | -30.4 | 178.5 | -69.7 | 162.7 | 0 | 0 | 0 | 111.3 | S101 V103 L108 | S101-I105 WeakPolarHBondContact O-CD1 3.31Å; V103-I105 VanDerWaalsContact C-N 3.34Å; V103-I105 PolarHBondContact O-N 3.45Å; I105-L108 PolarHBondContact O-N 3.39Å |
| 106 | K | 43.3 | Very low | 45.3 | Very low | 171 Ų | 171 | 134.9 Ų | 134.9 | 74% | 0.743 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -78 | -26.2 | -179.2 | -156.6 | 162.1 | -176.8 | 165.9 | 0 | 113.2 | V103 L104 | V103-K106 PolarHBondContact O-N 3.25Å; L104-K106 VanDerWaalsContact C-N 3.32Å; L104-K106 PolarHBondContact O-N 3.44Å |
| 107 | L | 47.9 | Very low | 45.5 | Very low | 124 Ų | 124 | 129.4 Ų | 129.4 | 65% | 0.649 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -80.5 | -17.8 | 172.7 | -93.5 | 150.9 | 0 | 0 | 0 | 113.5 | V103 | V103-L107 HydrophobicContact CG1-CD1 4.25Å; V103-L107 PolarHBondContact O-N 3.5Å |
| 108 | L | 47 | Very low | 45.8 | Very low | 137 Ų | 137 | 125.6 Ų | 125.6 | 72% | 0.717 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -84.1 | -11.4 | 178.8 | -152.7 | 81.4 | 0 | 0 | 0 | 113.2 | L104 I105 | L104-L108 PolarHBondContact O-N 3.26Å; I105-L108 PolarHBondContact O-N 3.39Å |
| 109 | F | 44.5 | Very low | 45.9 | Very low | 183 Ų | 183 | 119.2 Ų | 119.2 | 80% | 0.803 | 67% | 0.673 | S | S | * | * | trans | -116.7 | 15.1 | -175.5 | -93.6 | -86.6 | 0 | 0 | 0 | 113.8 | ||||
| 110 | I | 41.9 | Very low | 46.1 | Very low | 205 Ų | 205 | 122.1 Ų | 122.1 | 100% | 1.051 | 67% | 0.669 | S | S | * | * | trans | -112.5 | 0 | 167.3 | -121.9 | 156 | 0 | 0 | 0 | 108.7 |
Retrieved 110 of 110 residues in 46.9 ms
(Link to these results)