| 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 | 50.5 | Low | 63.8 | Low | 178 Ų | 178 | 125 Ų | 125 | 88% | 0.877 | 64% | 0.638 | S | S | * | * | 0 | -69.3 | 0 | -134.5 | 169.9 | 78.4 | 0 | 0 | 114.3 | E4 W5 | M1-E4 VanDerWaalsContact CA-OE2 3.26Å; M1-E4 WeakPolarHBondContact CA-OE2 3.26Å; M1-E4 PolarHBondContact N-OE2 2.77Å; M1-E4 PolarHBondContact O-N 3.43Å; M1-W5 PolarHBondContact O-N 3.48Å | |||
| 2 | L | 49.9 | Very low | 65.9 | Low | 156 Ų | 156 | 122.8 Ų | 122.8 | 82% | 0.817 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -66.6 | -38.6 | 179.1 | -87 | 160.7 | 0 | 0 | 0 | 113.9 | W5 M6 | L2-W5 PolarHBondContact O-N 3.49Å; L2-M6 PolarHBondContact O-N 3.3Å |
| 3 | L | 48.7 | Very low | 67.9 | Low | 133 Ų | 133 | 121.2 Ų | 121.2 | 70% | 0.696 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -68.7 | -30.5 | 176.2 | -96 | 137.9 | 0 | 0 | 0 | 113.7 | M6 | L3-M6 PolarHBondContact O-N 3.31Å |
| 4 | E | 53.7 | Low | 69.6 | Low | 134 Ų | 134 | 123.6 Ų | 123.6 | 63% | 0.626 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -72.2 | -33.2 | 177.3 | -74.6 | 159.5 | 139 | 0 | 0 | 111.9 | M1 M7 | M1-E4 VanDerWaalsContact CA-OE2 3.26Å; M1-E4 WeakPolarHBondContact CA-OE2 3.26Å; M1-E4 PolarHBondContact N-OE2 2.77Å; M1-E4 PolarHBondContact O-N 3.43Å; E4-M7 PolarHBondContact O-N 3.47Å |
| 5 | W | 52.7 | Low | 71 | Confident | 184 Ų | 184 | 121.1 Ų | 121.1 | 70% | 0.697 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -68 | -35.8 | 174.1 | -89.6 | 81.7 | 0 | 0 | 0 | 112.9 | M1 L2 M7 N8 A11 | M1-W5 PolarHBondContact O-N 3.48Å; L2-W5 PolarHBondContact O-N 3.49Å; W5-M7 PolarHBondContact O-N 3.41Å; W5-N8 PolarHBondContact O-N 3.39Å; W5-A11 WeakPolarHBondContact O-CB 3.49Å |
| 6 | M | 52.4 | Low | 72.3 | Confident | 142 Ų | 142 | 115.9 Ų | 115.9 | 70% | 0.7 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -66.7 | -19 | 175.5 | -75.6 | 179.7 | 62.8 | 0 | 0 | 113.3 | L2 L3 I12 | L2-M6 PolarHBondContact O-N 3.3Å; L3-M6 PolarHBondContact O-N 3.31Å; M6-I12 WeakPolarHBondContact O-CG1 2.93Å |
| 7 | M | 56.1 | Low | 73.7 | Confident | 142 Ų | 142 | 114.3 Ų | 114.3 | 70% | 0.7 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.4 | 4.3 | -177.1 | -67.3 | -179 | 63.7 | 0 | 0 | 114.1 | E4 W5 G9 | E4-M7 PolarHBondContact O-N 3.47Å; W5-M7 PolarHBondContact O-N 3.41Å; M7-G9 PolarHBondContact O-N 3.47Å |
| 8 | N | 78 | Confident | 74.8 | Confident | 83 Ų | 83 | 112.1 Ų | 112.1 | 44% | 0.444 | 59% | 0.588 | S | S | . | * | S | Bend | trans | -68.9 | 129.2 | 170.4 | -82.8 | -31.7 | 0 | 0 | 0 | 109.9 | W5 H10 A11 I12 | W5-N8 PolarHBondContact O-N 3.39Å; N8-H10 PolarHBondContact O-N 3.47Å; N8-H10 VanDerWaalsContact O-N 3.08Å; N8-A11 HydrophobicContact CB-CB 4.12Å; N8-A11 WeakPolarHBondContact O-CA 3.41Å; N8-A11 WeakPolarHBondContact O-CB 3.47Å; N8-A11 PolarHBondContact O-N 3.13Å; N8-I12 PolarHBondContact O-N 3.41Å |
| 9 | G | 86.1 | Confident | 75.8 | Confident | 58 Ų | 58 | 112.4 Ų | 112.4 | 60% | 0.598 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -53.2 | -34.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114 | M7 L13 | M7-G9 PolarHBondContact O-N 3.47Å; G9-L13 PolarHBondContact O-N 3.48Å; G9-L13 VanDerWaalsContact O-N 3.13Å |
| 10 | H | 85.5 | Confident | 76.8 | Confident | 138 Ų | 138 | 109.4 Ų | 109.4 | 64% | 0.639 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -68.6 | -42 | 173.2 | -63.5 | -62 | 0 | 0 | 0 | 113.2 | N8 I12 L13 Y14 | N8-H10 PolarHBondContact O-N 3.47Å; N8-H10 VanDerWaalsContact O-N 3.08Å; H10-I12 VanDerWaalsContact C-N 3.34Å; H10-I12 PolarHBondContact O-N 3.21Å; H10-L13 WeakPolarHBondContact O-CB 3.43Å; H10-L13 PolarHBondContact O-N 3.04Å; H10-Y14 HydrophobicContact CB-CE2 4.01Å; H10-Y14 WeakPolarHBondContact O-CD2 3.37Å; H10-Y14 PolarHBondContact O-N 3.41Å |
| 11 | A | 88.1 | Confident | 77.8 | Confident | 27 Ų | 27 | 109.5 Ų | 109.5 | 22% | 0.223 | 58% | 0.577 | C | S | . | * | H | α-helix | trans | -62.6 | -43.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | W5 N8 L13 Y14 T15 | W5-A11 WeakPolarHBondContact O-CB 3.49Å; N8-A11 HydrophobicContact CB-CB 4.12Å; N8-A11 WeakPolarHBondContact O-CA 3.41Å; N8-A11 WeakPolarHBondContact O-CB 3.47Å; N8-A11 PolarHBondContact O-N 3.13Å; A11-L13 VanDerWaalsContact C-N 3.31Å; A11-L13 PolarHBondContact O-N 2.87Å; A11-Y14 PolarHBondContact O-N 3Å; A11-T15 WeakPolarHBondContact O-CB 3.34Å; A11-T15 PolarHBondContact O-N 3.34Å; A11-T15 PolarHBondContact O-OG1 3.48Å |
| 12 | I | 89.8 | Confident | 79.9 | Confident | 99 Ų | 99 | 108.7 Ų | 108.7 | 51% | 0.508 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -59.6 | -42.7 | 175 | -63.6 | 170.9 | 0 | 0 | 0 | 110.9 | M6 N8 H10 G16 | M6-I12 WeakPolarHBondContact O-CG1 2.93Å; N8-I12 PolarHBondContact O-N 3.41Å; H10-I12 VanDerWaalsContact C-N 3.34Å; H10-I12 PolarHBondContact O-N 3.21Å; I12-G16 PolarHBondContact O-N 2.84Å |
| 13 | L | 91.3 | Very high | 82.1 | Confident | 102 Ų | 102 | 103.9 Ų | 103.9 | 53% | 0.534 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.3 | -50.6 | 176.2 | 179 | 65.4 | 0 | 0 | 0 | 111.7 | G9 H10 A11 G16 V17 | G9-L13 PolarHBondContact O-N 3.48Å; G9-L13 VanDerWaalsContact O-N 3.13Å; H10-L13 WeakPolarHBondContact O-CB 3.43Å; H10-L13 PolarHBondContact O-N 3.04Å; A11-L13 VanDerWaalsContact C-N 3.31Å; A11-L13 PolarHBondContact O-N 2.87Å; L13-G16 PolarHBondContact O-N 3.13Å; L13-V17 HydrophobicContact CD1-CG2 4.1Å; L13-V17 WeakPolarHBondContact O-CB 3.44Å; L13-V17 VanDerWaalsContact O-CG2 3.3Å; L13-V17 WeakPolarHBondContact O-CG2 3.44Å; L13-V17 PolarHBondContact O-N 3Å |
| 14 | Y | 91.7 | Very high | 84.3 | Confident | 154 Ų | 154 | 101.4 Ų | 101.4 | 60% | 0.604 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.8 | -46.3 | 179.8 | -63.2 | -57.5 | 0 | 0 | 0 | 111.6 | H10 A11 G16 V17 T18 | H10-Y14 HydrophobicContact CB-CE2 4.01Å; H10-Y14 WeakPolarHBondContact O-CD2 3.37Å; H10-Y14 PolarHBondContact O-N 3.41Å; A11-Y14 PolarHBondContact O-N 3Å; Y14-G16 VanDerWaalsContact C-N 3.33Å; Y14-G16 PolarHBondContact O-N 3.37Å; Y14-V17 PolarHBondContact O-N 3.28Å; Y14-T18 WeakPolarHBondContact O-CB 3.41Å; Y14-T18 PolarHBondContact O-N 3.08Å; Y14-T18 PolarHBondContact O-OG1 3.12Å |
| 15 | T | 90.3 | Very high | 86.3 | Confident | 86 Ų | 86 | 98.5 Ų | 98.5 | 53% | 0.528 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.5 | -43.9 | 177.2 | -56 | 0 | 0 | 0 | 0 | 111.3 | A11 T18 L19 | A11-T15 WeakPolarHBondContact O-CB 3.34Å; A11-T15 PolarHBondContact O-N 3.34Å; A11-T15 PolarHBondContact O-OG1 3.48Å; T15-T18 PolarHBondContact O-N 2.92Å; T15-L19 HydrophobicContact CG2-CD1 4.1Å; T15-L19 WeakPolarHBondContact O-CB 3.31Å; T15-L19 PolarHBondContact O-N 2.87Å |
| 16 | G | 92.9 | Very high | 88.3 | Confident | 39 Ų | 39 | 95.2 Ų | 95.2 | 40% | 0.402 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.9 | -46.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | I12 L13 Y14 L19 A20 | I12-G16 PolarHBondContact O-N 2.84Å; L13-G16 PolarHBondContact O-N 3.13Å; Y14-G16 VanDerWaalsContact C-N 3.33Å; Y14-G16 PolarHBondContact O-N 3.37Å; G16-L19 PolarHBondContact O-N 3.22Å; G16-A20 WeakPolarHBondContact O-CB 3.26Å; G16-A20 PolarHBondContact O-N 3.4Å |
| 17 | V | 94.9 | Very high | 90.4 | Very high | 88 Ų | 88 | 93.4 Ų | 93.4 | 53% | 0.533 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.2 | -44.3 | 177.6 | 172 | 0 | 0 | 0 | 0 | 111 | L13 Y14 A20 F21 | L13-V17 HydrophobicContact CD1-CG2 4.1Å; L13-V17 WeakPolarHBondContact O-CB 3.44Å; L13-V17 VanDerWaalsContact O-CG2 3.3Å; L13-V17 WeakPolarHBondContact O-CG2 3.44Å; L13-V17 PolarHBondContact O-N 3Å; Y14-V17 PolarHBondContact O-N 3.28Å; V17-A20 PolarHBondContact O-N 2.91Å; V17-F21 VanDerWaalsContact O-CB 3.31Å; V17-F21 WeakPolarHBondContact O-CB 3.31Å; V17-F21 PolarHBondContact O-N 2.89Å |
| 18 | T | 93.6 | Very high | 92.2 | Very high | 75 Ų | 75 | 89.8 Ų | 89.8 | 46% | 0.46 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.5 | -44.7 | 177.8 | -60.9 | 0 | 0 | 0 | 0 | 111.7 | Y14 T15 F21 W22 | Y14-T18 WeakPolarHBondContact O-CB 3.41Å; Y14-T18 PolarHBondContact O-N 3.08Å; Y14-T18 PolarHBondContact O-OG1 3.12Å; T15-T18 PolarHBondContact O-N 2.92Å; T18-F21 PolarHBondContact O-N 2.85Å; T18-W22 PolarHBondContact O-N 2.98Å; T18-W22 VanDerWaalsContact O-N 3.09Å |
| 19 | L | 94.8 | Very high | 92.9 | Very high | 117 Ų | 117 | 87.6 Ų | 87.6 | 61% | 0.613 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.8 | -48 | 177 | -111.1 | 140.4 | 0 | 0 | 0 | 111.8 | T15 G16 F21 W22 S23 | T15-L19 HydrophobicContact CG2-CD1 4.1Å; T15-L19 WeakPolarHBondContact O-CB 3.31Å; T15-L19 PolarHBondContact O-N 2.87Å; G16-L19 PolarHBondContact O-N 3.22Å; L19-F21 VanDerWaalsContact C-N 3.33Å; L19-F21 PolarHBondContact O-N 2.97Å; L19-W22 PolarHBondContact O-N 3.48Å; L19-S23 WeakPolarHBondContact O-CB 3.42Å; L19-S23 PolarHBondContact O-N 2.98Å; L19-S23 PolarHBondContact O-OG 3.29Å; L19-S23 VanDerWaalsContact O-OG 3.11Å |
| 20 | A | 95.6 | Very high | 93.3 | Very high | 52 Ų | 52 | 88.7 Ų | 88.7 | 43% | 0.43 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.1 | -39.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | G16 V17 S23 T24 | G16-A20 WeakPolarHBondContact O-CB 3.26Å; G16-A20 PolarHBondContact O-N 3.4Å; V17-A20 PolarHBondContact O-N 2.91Å; A20-S23 WeakPolarHBondContact CA-OG 3.43Å; A20-S23 PolarHBondContact O-OG 2.68Å; A20-T24 VanDerWaalsContact O-CB 3.3Å; A20-T24 WeakPolarHBondContact O-CB 3.18Å; A20-T24 PolarHBondContact O-N 3.44Å; A20-T24 PolarHBondContact O-OG1 3.35Å |
| 21 | F | 96.4 | Very high | 93.7 | Very high | 113 Ų | 113 | 84.5 Ų | 84.5 | 50% | 0.496 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.1 | -52 | 176.4 | 176.2 | -103.2 | 0 | 0 | 0 | 111.7 | V17 T18 L19 T24 I25 | V17-F21 VanDerWaalsContact O-CB 3.31Å; V17-F21 WeakPolarHBondContact O-CB 3.31Å; V17-F21 PolarHBondContact O-N 2.89Å; T18-F21 PolarHBondContact O-N 2.85Å; L19-F21 VanDerWaalsContact C-N 3.33Å; L19-F21 PolarHBondContact O-N 2.97Å; F21-T24 PolarHBondContact O-N 2.98Å; F21-I25 HydrophobicContact CD1-CD1 3.99Å; F21-I25 HydrophobicContact CD2-CD1 4.2Å; F21-I25 HydrophobicContact CE1-CD1 3.39Å; F21-I25 HydrophobicContact CE2-CD1 3.63Å; F21-I25 HydrophobicContact CE2-CG1 4.44Å; F21-I25 HydrophobicContact CG-CD1 4.37Å; F21-I25 HydrophobicContact CZ-CD1 3.2Å; F21-I25 HydrophobicContact CZ-CG1 4.41Å; F21-I25 PolarHBondContact O-N 3.48Å |
| 22 | W | 95.6 | Very high | 93.9 | Very high | 161 Ų | 161 | 86.9 Ų | 86.9 | 61% | 0.61 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -67.8 | -38.6 | -178.9 | -75.5 | 115.2 | 0 | 0 | 0 | 113.2 | T18 L19 T24 I25 L26 | T18-W22 PolarHBondContact O-N 2.98Å; T18-W22 VanDerWaalsContact O-N 3.09Å; L19-W22 PolarHBondContact O-N 3.48Å; W22-T24 VanDerWaalsContact C-N 3.32Å; W22-T24 PolarHBondContact O-N 3.45Å; W22-I25 PolarHBondContact O-N 3.35Å; W22-L26 WeakPolarHBondContact O-CB 3.41Å; W22-L26 PolarHBondContact O-N 3Å |
| 23 | S | 95.6 | Very high | 94.1 | Very high | 55 Ų | 55 | 87.1 Ų | 87.1 | 39% | 0.385 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.3 | -41.4 | 175.5 | 64.2 | 0 | 0 | 0 | 0 | 111.4 | L19 A20 L26 I27 | L19-S23 WeakPolarHBondContact O-CB 3.42Å; L19-S23 PolarHBondContact O-N 2.98Å; L19-S23 PolarHBondContact O-OG 3.29Å; L19-S23 VanDerWaalsContact O-OG 3.11Å; A20-S23 WeakPolarHBondContact CA-OG 3.43Å; A20-S23 PolarHBondContact O-OG 2.68Å; S23-L26 PolarHBondContact O-N 2.94Å; S23-I27 WeakPolarHBondContact O-CD1 3.44Å; S23-I27 VanDerWaalsContact O-CG1 3.27Å; S23-I27 WeakPolarHBondContact O-CG1 3.3Å; S23-I27 PolarHBondContact O-N 3.47Å; S23-I27 VanDerWaalsContact O-N 3.08Å |
| 24 | T | 95.9 | Very high | 94.2 | Very high | 80 Ų | 80 | 88.1 Ų | 88.1 | 49% | 0.491 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.4 | -45.3 | 178.2 | -55.2 | 0 | 0 | 0 | 0 | 111.1 | A20 F21 W22 L26 I27 V28 | A20-T24 VanDerWaalsContact O-CB 3.3Å; A20-T24 WeakPolarHBondContact O-CB 3.18Å; A20-T24 PolarHBondContact O-N 3.44Å; A20-T24 PolarHBondContact O-OG1 3.35Å; F21-T24 PolarHBondContact O-N 2.98Å; W22-T24 VanDerWaalsContact C-N 3.32Å; W22-T24 PolarHBondContact O-N 3.45Å; T24-L26 VanDerWaalsContact C-N 3.32Å; T24-L26 PolarHBondContact O-N 3.44Å; T24-I27 PolarHBondContact O-N 3.41Å; T24-V28 HydrophobicContact CG2-CG2 4.28Å; T24-V28 WeakPolarHBondContact O-CB 3.49Å; T24-V28 VanDerWaalsContact O-CG2 3.26Å; T24-V28 WeakPolarHBondContact O-CG2 3.36Å; T24-V28 PolarHBondContact O-N 3.13Å |
| 25 | I | 95.5 | Very high | 94.3 | Very high | 74 Ų | 74 | 87.5 Ų | 87.5 | 38% | 0.379 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.5 | -42.7 | 175.8 | -77.1 | 179.9 | 0 | 0 | 0 | 111.6 | F21 W22 V28 G29 | F21-I25 HydrophobicContact CD1-CD1 3.99Å; F21-I25 HydrophobicContact CD2-CD1 4.2Å; F21-I25 HydrophobicContact CE1-CD1 3.39Å; F21-I25 HydrophobicContact CE2-CD1 3.63Å; F21-I25 HydrophobicContact CE2-CG1 4.44Å; F21-I25 HydrophobicContact CG-CD1 4.37Å; F21-I25 HydrophobicContact CZ-CD1 3.2Å; F21-I25 HydrophobicContact CZ-CG1 4.41Å; F21-I25 PolarHBondContact O-N 3.48Å; W22-I25 PolarHBondContact O-N 3.35Å; I25-V28 PolarHBondContact O-N 2.69Å; I25-G29 PolarHBondContact O-N 3.43Å |
| 26 | L | 95.1 | Very high | 94.3 | Very high | 114 Ų | 114 | 90.1 Ų | 90.1 | 60% | 0.597 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.5 | -47 | 178.8 | -177.4 | 68.8 | 0 | 0 | 0 | 111.2 | W22 S23 T24 G29 I30 | W22-L26 WeakPolarHBondContact O-CB 3.41Å; W22-L26 PolarHBondContact O-N 3Å; S23-L26 PolarHBondContact O-N 2.94Å; T24-L26 VanDerWaalsContact C-N 3.32Å; T24-L26 PolarHBondContact O-N 3.44Å; L26-G29 PolarHBondContact O-N 2.92Å; L26-I30 HydrophobicContact CD1-CD1 4.22Å; L26-I30 HydrophobicContact CG-CD1 4Å; L26-I30 VanDerWaalsContact O-CG1 3.26Å; L26-I30 WeakPolarHBondContact O-CG1 3.35Å; L26-I30 PolarHBondContact O-N 3.28Å |
| 27 | I | 95.3 | Very high | 94.3 | Very high | 105 Ų | 105 | 91.1 Ų | 91.1 | 54% | 0.538 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.2 | -48 | 178.1 | -67 | 164.5 | 0 | 0 | 0 | 110.3 | S23 T24 G29 I30 C31 | S23-I27 WeakPolarHBondContact O-CD1 3.44Å; S23-I27 VanDerWaalsContact O-CG1 3.27Å; S23-I27 WeakPolarHBondContact O-CG1 3.3Å; S23-I27 PolarHBondContact O-N 3.47Å; S23-I27 VanDerWaalsContact O-N 3.08Å; T24-I27 PolarHBondContact O-N 3.41Å; I27-G29 VanDerWaalsContact C-N 3.35Å; I27-G29 PolarHBondContact O-N 2.9Å; I27-I30 PolarHBondContact O-N 3.17Å; I27-C31 PolarHBondContact O-N 3.05Å; I27-C31 PolarHBondContact O-SG 2.92Å |
| 28 | V | 94.9 | Very high | 94 | Very high | 65 Ų | 65 | 88.8 Ų | 88.8 | 39% | 0.394 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.4 | -45.7 | 178.7 | 170.6 | 0 | 0 | 0 | 0 | 110.7 | T24 I25 I30 C31 Y32 | T24-V28 HydrophobicContact CG2-CG2 4.28Å; T24-V28 WeakPolarHBondContact O-CB 3.49Å; T24-V28 VanDerWaalsContact O-CG2 3.26Å; T24-V28 WeakPolarHBondContact O-CG2 3.36Å; T24-V28 PolarHBondContact O-N 3.13Å; I25-V28 PolarHBondContact O-N 2.69Å; V28-I30 PolarHBondContact O-N 2.86Å; V28-C31 WeakPolarHBondContact O-CB 3.48Å; V28-C31 PolarHBondContact O-N 3.5Å; V28-Y32 HydrophobicContact CG1-CD2 3.59Å; V28-Y32 HydrophobicContact CG1-CE2 3.59Å; V28-Y32 VanDerWaalsContact O-CD2 3.31Å; V28-Y32 WeakPolarHBondContact O-CD2 3.44Å; V28-Y32 PolarHBondContact O-N 2.99Å |
| 29 | G | 92.9 | Very high | 93.8 | Very high | 37 Ų | 37 | 92.9 Ų | 92.9 | 38% | 0.381 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.6 | -43.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | I25 L26 I27 Y32 T33 | I25-G29 PolarHBondContact O-N 3.43Å; L26-G29 PolarHBondContact O-N 2.92Å; I27-G29 VanDerWaalsContact C-N 3.35Å; I27-G29 PolarHBondContact O-N 2.9Å; G29-Y32 PolarHBondContact O-N 3.33Å; G29-T33 PolarHBondContact O-N 3.44Å; G29-T33 PolarHBondContact O-OG1 3.11Å |
| 30 | I | 93.7 | Very high | 93.6 | Very high | 81 Ų | 81 | 95 Ų | 95 | 42% | 0.415 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.4 | -40.6 | 175.1 | -67.3 | 166.5 | 0 | 0 | 0 | 111.1 | L26 I27 V28 T33 I34 | L26-I30 HydrophobicContact CD1-CD1 4.22Å; L26-I30 HydrophobicContact CG-CD1 4Å; L26-I30 VanDerWaalsContact O-CG1 3.26Å; L26-I30 WeakPolarHBondContact O-CG1 3.35Å; L26-I30 PolarHBondContact O-N 3.28Å; I27-I30 PolarHBondContact O-N 3.17Å; V28-I30 PolarHBondContact O-N 2.86Å; I30-T33 PolarHBondContact O-N 3.31Å; I30-T33 PolarHBondContact O-OG1 3.37Å; I30-I34 HydrophobicContact CG2-CD1 3.46Å; I30-I34 VanDerWaalsContact CG2-CD1 3.46Å; I30-I34 HydrophobicContact CG2-CG1 4.15Å; I30-I34 WeakPolarHBondContact O-CB 3.42Å; I30-I34 VanDerWaalsContact O-CG1 3.32Å; I30-I34 WeakPolarHBondContact O-CG1 3.42Å; I30-I34 PolarHBondContact O-N 2.91Å |
| 31 | C | 93.7 | Very high | 93.4 | Very high | 50 Ų | 50 | 99.8 Ų | 99.8 | 34% | 0.338 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63 | -44.3 | 176.6 | -71.7 | 0 | 0 | 0 | 0 | 111.8 | I27 V28 T33 I34 F35 | I27-C31 PolarHBondContact O-N 3.05Å; I27-C31 PolarHBondContact O-SG 2.92Å; V28-C31 WeakPolarHBondContact O-CB 3.48Å; V28-C31 PolarHBondContact O-N 3.5Å; C31-T33 VanDerWaalsContact C-N 3.25Å; C31-T33 PolarHBondContact O-N 3.05Å; C31-I34 PolarHBondContact O-N 3.03Å; C31-F35 HydrophobicContact CB-CD2 4.05Å; C31-F35 HydrophobicContact CB-CE2 4.15Å; C31-F35 WeakPolarHBondContact O-CB 3.43Å; C31-F35 WeakPolarHBondContact O-CD2 3.41Å; C31-F35 PolarHBondContact O-N 3.4Å |
| 32 | Y | 92.9 | Very high | 93.3 | Very high | 78 Ų | 78 | 98.4 Ų | 98.4 | 31% | 0.306 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.4 | -34.8 | 178 | -91.9 | -79.2 | 0 | 0 | 0 | 112.6 | V28 G29 L37 G38 R40 | V28-Y32 HydrophobicContact CG1-CD2 3.59Å; V28-Y32 HydrophobicContact CG1-CE2 3.59Å; V28-Y32 VanDerWaalsContact O-CD2 3.31Å; V28-Y32 WeakPolarHBondContact O-CD2 3.44Å; V28-Y32 PolarHBondContact O-N 2.99Å; G29-Y32 PolarHBondContact O-N 3.33Å; Y32-L37 HydrophobicContact CD1-CB 3.89Å; Y32-L37 WeakPolarHBondContact CD1-O 3.46Å; Y32-L37 HydrophobicContact CE1-CB 4.32Å; Y32-L37 CarbonylContact O-C 3.59Å; Y32-L37 PolarHBondContact O-N 3.19Å; Y32-G38 PolarHBondContact O-N 3.39Å; Y32-G38 VanDerWaalsContact O-N 3.08Å; Y32-R40 HydrophobicContact CE1-CB 4.04Å |
| 33 | T | 92.6 | Very high | 93.1 | Very high | 103 Ų | 103 | 94.4 Ų | 94.4 | 63% | 0.632 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -79.6 | -38.2 | 177.6 | 56.3 | 0 | 0 | 0 | 0 | 113.1 | G29 I30 C31 | G29-T33 PolarHBondContact O-N 3.44Å; G29-T33 PolarHBondContact O-OG1 3.11Å; I30-T33 PolarHBondContact O-N 3.31Å; I30-T33 PolarHBondContact O-OG1 3.37Å; C31-T33 VanDerWaalsContact C-N 3.25Å; C31-T33 PolarHBondContact O-N 3.05Å |
| 34 | I | 94.8 | Very high | 93 | Very high | 123 Ų | 123 | 94.6 Ų | 94.6 | 63% | 0.631 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -72.6 | -38.5 | -179 | -69.4 | 177.1 | 0 | 0 | 0 | 112.3 | I30 C31 D36 | I30-I34 HydrophobicContact CG2-CD1 3.46Å; I30-I34 VanDerWaalsContact CG2-CD1 3.46Å; I30-I34 HydrophobicContact CG2-CG1 4.15Å; I30-I34 WeakPolarHBondContact O-CB 3.42Å; I30-I34 VanDerWaalsContact O-CG1 3.32Å; I30-I34 WeakPolarHBondContact O-CG1 3.42Å; I30-I34 PolarHBondContact O-N 2.91Å; C31-I34 PolarHBondContact O-N 3.03Å; I34-D36 PolarHBondContact O-N 2.77Å |
| 35 | F | 94.3 | Very high | 92.8 | Very high | 142 Ų | 142 | 98.1 Ų | 98.1 | 62% | 0.623 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | 13.4 | -177.3 | -68.5 | -65.3 | 0 | 0 | 0 | 114.1 | C31 L37 | C31-F35 HydrophobicContact CB-CD2 4.05Å; C31-F35 HydrophobicContact CB-CE2 4.15Å; C31-F35 WeakPolarHBondContact O-CB 3.43Å; C31-F35 WeakPolarHBondContact O-CD2 3.41Å; C31-F35 PolarHBondContact O-N 3.4Å; F35-L37 HydrophobicContact CB-CD1 3.8Å; F35-L37 HydrophobicContact CB-CG 4.46Å; F35-L37 PolarHBondContact O-N 3.45Å |
| 36 | D | 89.8 | Confident | 92.7 | Very high | 140 Ų | 140 | 99.5 Ų | 99.5 | 75% | 0.749 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 24.6 | -178 | -155.3 | 31.5 | 0 | 0 | 0 | 113.7 | I34 G38 F39 | I34-D36 PolarHBondContact O-N 2.77Å; D36-G38 VanDerWaalsContact C-N 3.3Å; D36-F39 WeakPolarHBondContact O-CD1 3.46Å; D36-F39 WeakPolarHBondContact O-CE1 3.27Å |
| 37 | L | 92.8 | Very high | 92.7 | Very high | 61 Ų | 61 | 97.1 Ų | 97.1 | 32% | 0.319 | 50% | 0.499 | S | S | . | . | trans | -92.1 | 9.3 | 177.7 | -80.7 | 153.6 | 0 | 0 | 0 | 112.1 | Y32 F35 F39 R40 | Y32-L37 HydrophobicContact CD1-CB 3.89Å; Y32-L37 WeakPolarHBondContact CD1-O 3.46Å; Y32-L37 HydrophobicContact CE1-CB 4.32Å; Y32-L37 CarbonylContact O-C 3.59Å; Y32-L37 PolarHBondContact O-N 3.19Å; F35-L37 HydrophobicContact CB-CD1 3.8Å; F35-L37 HydrophobicContact CB-CG 4.46Å; F35-L37 PolarHBondContact O-N 3.45Å; L37-F39 HydrophobicContact CD2-CE1 4.24Å; L37-F39 HydrophobicContact CD2-CZ 4.25Å; L37-F39 PolarHBondContact O-N 3.19Å; L37-F39 VanDerWaalsContact O-N 3.14Å; L37-R40 VanDerWaalsContact CD2-CD 3.49Å; L37-R40 HydrophobicContact CD2-CG 4.26Å; L37-R40 WeakPolarHBondContact O-CB 3.41Å; L37-R40 PolarHBondContact O-N 3.06Å | ||
| 38 | G | 87.3 | Confident | 92.4 | Very high | 38 Ų | 38 | 94.6 Ų | 94.6 | 39% | 0.392 | 49% | 0.489 | S | S | . | . | G | 310 helix | trans | -57 | -29.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y32 D36 R40 F41 | Y32-G38 PolarHBondContact O-N 3.39Å; Y32-G38 VanDerWaalsContact O-N 3.08Å; D36-G38 VanDerWaalsContact C-N 3.3Å; G38-R40 PolarHBondContact O-N 3.47Å; G38-R40 VanDerWaalsContact O-N 3.12Å; G38-F41 PolarHBondContact O-N 3.36Å |
| 39 | F | 89.5 | Confident | 92.2 | Very high | 161 Ų | 161 | 97.3 Ų | 97.3 | 71% | 0.706 | 50% | 0.497 | S | S | * | . | G | 310 helix | trans | -60.7 | -20.2 | 175.4 | 70.8 | -91.1 | 0 | 0 | 0 | 113.8 | D36 L37 | D36-F39 WeakPolarHBondContact O-CD1 3.46Å; D36-F39 WeakPolarHBondContact O-CE1 3.27Å; L37-F39 HydrophobicContact CD2-CE1 4.24Å; L37-F39 HydrophobicContact CD2-CZ 4.25Å; L37-F39 PolarHBondContact O-N 3.19Å; L37-F39 VanDerWaalsContact O-N 3.14Å |
| 40 | R | 91.1 | Very high | 92.2 | Very high | 163 Ų | 163 | 96.8 Ų | 96.8 | 62% | 0.615 | 49% | 0.486 | S | S | * | . | G | 310 helix | trans | -81.8 | -18.2 | 176.1 | -62.2 | -174.1 | 68.9 | -173.3 | 0.1 | 113 | Y32 L37 G38 D42 | Y32-R40 HydrophobicContact CE1-CB 4.04Å; L37-R40 VanDerWaalsContact CD2-CD 3.49Å; L37-R40 HydrophobicContact CD2-CG 4.26Å; L37-R40 WeakPolarHBondContact O-CB 3.41Å; L37-R40 PolarHBondContact O-N 3.06Å; G38-R40 PolarHBondContact O-N 3.47Å; G38-R40 VanDerWaalsContact O-N 3.12Å; R40-D42 VanDerWaalsContact C-N 3.29Å; R40-D42 PolarHBondContact O-N 3.19Å; R40-D42 VanDerWaalsContact O-N 3.14Å |
| 41 | F | 91.9 | Very high | 92.1 | Very high | 151 Ų | 151 | 95.7 Ų | 95.7 | 66% | 0.662 | 49% | 0.486 | S | S | * | . | trans | -86.1 | 75.6 | 175.6 | -168.7 | -94.7 | 0 | 0 | 0 | 109.2 | G38 V43 | G38-F41 PolarHBondContact O-N 3.36Å; F41-V43 HydrophobicContact CD1-CG2 4.2Å; F41-V43 HydrophobicContact CE1-CG2 3.71Å; F41-V43 HydrophobicContact CZ-CG2 4.46Å | ||
| 42 | D | 93.1 | Very high | 92.1 | Very high | 84 Ų | 84 | 93.3 Ų | 93.3 | 45% | 0.449 | 47% | 0.47 | S | S | . | . | trans | -100.1 | 101.6 | -176.5 | -169.8 | -8 | 0 | 0 | 0 | 111.6 | R40 A44 W45 F46 | R40-D42 VanDerWaalsContact C-N 3.29Å; R40-D42 PolarHBondContact O-N 3.19Å; R40-D42 VanDerWaalsContact O-N 3.14Å; D42-A44 VanDerWaalsContact C-N 3.31Å; D42-A44 WeakPolarHBondContact OD1-CA 3.24Å; D42-A44 VanDerWaalsContact OD1-CB 3.23Å; D42-A44 WeakPolarHBondContact OD1-CB 3.44Å; D42-A44 PolarHBondContact OD1-N 2.68Å; D42-W45 HydrophobicContact CB-CB 3.89Å; D42-W45 PolarHBondContact OD1-N 2.96Å; D42-F46 PolarHBondContact O-N 3.03Å | ||
| 43 | V | 93 | Very high | 92.1 | Very high | 77 Ų | 77 | 92.3 Ų | 92.3 | 47% | 0.467 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -71.3 | -29.7 | 175 | -176.8 | 0 | 0 | 0 | 0 | 111.2 | F41 F46 L47 | F41-V43 HydrophobicContact CD1-CG2 4.2Å; F41-V43 HydrophobicContact CE1-CG2 3.71Å; F41-V43 HydrophobicContact CZ-CG2 4.46Å; V43-F46 PolarHBondContact O-N 3.11Å; V43-L47 HydrophobicContact CG1-CD1 4.07Å; V43-L47 HydrophobicContact CG1-CG 4.33Å; V43-L47 WeakPolarHBondContact O-CB 3.38Å; V43-L47 WeakPolarHBondContact O-CG 3.3Å; V43-L47 PolarHBondContact O-N 3.05Å |
| 44 | A | 92 | Very high | 92.3 | Very high | 60 Ų | 60 | 91.4 Ų | 91.4 | 50% | 0.496 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65.8 | -47 | 177.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | D42 F46 L47 T48 | D42-A44 VanDerWaalsContact C-N 3.31Å; D42-A44 WeakPolarHBondContact OD1-CA 3.24Å; D42-A44 VanDerWaalsContact OD1-CB 3.23Å; D42-A44 WeakPolarHBondContact OD1-CB 3.44Å; D42-A44 PolarHBondContact OD1-N 2.68Å; A44-F46 VanDerWaalsContact C-N 3.33Å; A44-F46 PolarHBondContact O-N 3.09Å; A44-L47 PolarHBondContact O-N 2.94Å; A44-L47 VanDerWaalsContact O-N 3.15Å; A44-T48 WeakPolarHBondContact O-CG2 3.38Å; A44-T48 PolarHBondContact O-N 3.43Å; A44-T48 PolarHBondContact O-OG1 2.98Å |
| 45 | W | 92.4 | Very high | 92.4 | Very high | 153 Ų | 153 | 87.4 Ų | 87.4 | 58% | 0.58 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -55.3 | -46.9 | 173.9 | 177.8 | 75.9 | 0 | 0 | 0 | 112.1 | D42 L47 T48 E49 | D42-W45 HydrophobicContact CB-CB 3.89Å; D42-W45 PolarHBondContact OD1-N 2.96Å; W45-L47 VanDerWaalsContact C-N 3.33Å; W45-L47 PolarHBondContact O-N 2.92Å; W45-T48 PolarHBondContact O-N 3.39Å; W45-T48 PolarHBondContact O-OG1 3.43Å; W45-E49 HydrophobicContact CD2-CB 4.47Å; W45-E49 HydrophobicContact CZ2-CB 4.35Å; W45-E49 HydrophobicContact CZ2-CG 3.98Å; W45-E49 WeakPolarHBondContact O-CB 3.37Å; W45-E49 PolarHBondContact O-N 3.41Å |
| 46 | F | 94.1 | Very high | 92.4 | Very high | 104 Ų | 104 | 80.6 Ų | 80.6 | 46% | 0.456 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -58.2 | -44.3 | 177.3 | 173.8 | -102.2 | 0 | 0 | 0 | 112.5 | D42 V43 A44 T50 W55 | D42-F46 PolarHBondContact O-N 3.03Å; V43-F46 PolarHBondContact O-N 3.11Å; A44-F46 VanDerWaalsContact C-N 3.33Å; A44-F46 PolarHBondContact O-N 3.09Å; F46-T50 WeakPolarHBondContact O-CB 3.24Å; F46-T50 PolarHBondContact O-N 3.44Å; F46-T50 PolarHBondContact O-OG1 3.09Å; F46-W55 HydrophobicContact CE1-CZ2 4.26Å |
| 47 | L | 93.6 | Very high | 92.8 | Very high | 63 Ų | 63 | 78.5 Ų | 78.5 | 33% | 0.33 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -72.2 | -35.8 | -179 | -72.5 | 178.4 | 0 | 0 | 0 | 112.7 | V43 A44 W45 W55 Y141 | V43-L47 HydrophobicContact CG1-CD1 4.07Å; V43-L47 HydrophobicContact CG1-CG 4.33Å; V43-L47 WeakPolarHBondContact O-CB 3.38Å; V43-L47 WeakPolarHBondContact O-CG 3.3Å; V43-L47 PolarHBondContact O-N 3.05Å; A44-L47 PolarHBondContact O-N 2.94Å; A44-L47 VanDerWaalsContact O-N 3.15Å; W45-L47 VanDerWaalsContact C-N 3.33Å; W45-L47 PolarHBondContact O-N 2.92Å; L47-W55 HydrophobicContact CD2-CZ2 4.42Å; L47-Y141 WeakPolarHBondContact CB-OH 3.48Å; L47-Y141 HydrophobicContact CD2-CE1 4.21Å; L47-Y141 PolarHBondContact O-OH 3.24Å |
| 48 | T | 90.5 | Very high | 93 | Very high | 53 Ų | 53 | 79.3 Ų | 79.3 | 33% | 0.325 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -82.3 | -37.1 | -179.7 | 55 | 0 | 0 | 0 | 0 | 112.8 | A44 W45 T50 Y137 | A44-T48 WeakPolarHBondContact O-CG2 3.38Å; A44-T48 PolarHBondContact O-N 3.43Å; A44-T48 PolarHBondContact O-OG1 2.98Å; W45-T48 PolarHBondContact O-N 3.39Å; W45-T48 PolarHBondContact O-OG1 3.43Å; T48-T50 VanDerWaalsContact C-N 3.34Å; T48-Y137 WeakPolarHBondContact O-CE1 3.32Å; T48-Y137 VanDerWaalsContact O-CZ 3.3Å; T48-Y137 PolarHBondContact O-OH 3.48Å |
| 49 | E | 89.8 | Confident | 93.5 | Very high | 122 Ų | 122 | 77.5 Ų | 77.5 | 57% | 0.57 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -73 | -32.7 | -179.3 | -165 | 64.8 | -154.4 | 0 | 0 | 111.3 | W45 S51 | W45-E49 HydrophobicContact CD2-CB 4.47Å; W45-E49 HydrophobicContact CZ2-CB 4.35Å; W45-E49 HydrophobicContact CZ2-CG 3.98Å; W45-E49 WeakPolarHBondContact O-CB 3.37Å; W45-E49 PolarHBondContact O-N 3.41Å; E49-S51 PolarHBondContact O-N 3.49Å |
| 50 | T | 93 | Very high | 93.8 | Very high | 25 Ų | 25 | 71 Ų | 71 | 15% | 0.153 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -69.9 | 128.3 | 176.9 | -60.2 | 0 | 0 | 0 | 0 | 110.7 | F46 T48 M54 | F46-T50 WeakPolarHBondContact O-CB 3.24Å; F46-T50 PolarHBondContact O-N 3.44Å; F46-T50 PolarHBondContact O-OG1 3.09Å; T48-T50 VanDerWaalsContact C-N 3.34Å; T50-M54 HydrophobicContact CG2-CB 4.42Å; T50-M54 HydrophobicContact CG2-CE 3.21Å; T50-M54 HydrophobicContact CG2-SD 3.72Å |
| 51 | S | 91.6 | Very high | 94.2 | Very high | 58 Ų | 58 | 64.8 Ų | 64.8 | 41% | 0.406 | 34% | 0.338 | S | S | . | . | trans | -64.3 | 136.9 | -175.5 | 71.8 | 0 | 0 | 0 | 0 | 112.6 | E49 F53 M54 | E49-S51 PolarHBondContact O-N 3.49Å; S51-F53 PolarHBondContact O-N 3.16Å; S51-M54 WeakPolarHBondContact O-CB 3.4Å; S51-M54 PolarHBondContact O-N 3.46Å; S51-M54 PolarHBondContact OG-N 2.84Å | ||
| 52 | P | 93.3 | Very high | 94.4 | Very high | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.006 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -57.1 | -29.5 | 172.9 | -27.4 | 34.4 | 0 | 0 | 0 | 113.7 | M54 W55 A56 F124 I132 Y137 M209 | P52-M54 VanDerWaalsContact C-N 3.31Å; P52-M54 PolarHBondContact O-N 3.39Å; P52-W55 PolarHBondContact O-N 3.12Å; P52-A56 PolarHBondContact O-N 3.08Å; P52-F124 HydrophobicContact CB-CE1 4.36Å; P52-F124 HydrophobicContact CB-CZ 4.38Å; P52-F124 HydrophobicContact CG-CE1 4.45Å; P52-F124 HydrophobicContact CG-CZ 4.07Å; P52-I132 HydrophobicContact CG-CG2 4.02Å; P52-Y137 HydrophobicContact CG-CD1 3.75Å; P52-Y137 HydrophobicContact CG-CE1 3.87Å; P52-Y137 HydrophobicContact CG-CG 4.26Å; P52-M209 HydrophobicContact CB-CE 4.05Å |
| 53 | F | 94.3 | Very high | 94.7 | Very high | 56 Ų | 56 | 55.6 Ų | 55.6 | 25% | 0.246 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.8 | -35.6 | 175.3 | -68.4 | -67.2 | 0 | 0 | 0 | 113 | S51 W55 A56 N57 F124 M209 | S51-F53 PolarHBondContact O-N 3.16Å; F53-W55 VanDerWaalsContact C-N 3.34Å; F53-W55 PolarHBondContact O-N 3.05Å; F53-A56 PolarHBondContact O-N 3.3Å; F53-N57 VanDerWaalsContact O-CB 3.27Å; F53-N57 WeakPolarHBondContact O-CB 3.46Å; F53-N57 VanDerWaalsContact O-CG 3.3Å; F53-N57 PolarHBondContact O-N 3.44Å; F53-N57 PolarHBondContact O-ND2 3.21Å; F53-F124 HydrophobicContact CD2-CE1 4.08Å; F53-F124 AromaticContact CD2-CZ 3.93Å; F53-F124 HydrophobicContact CD2-CZ 3.93Å; F53-F124 HydrophobicContact CE1-CD1 4.4Å; F53-F124 HydrophobicContact CE1-CE1 4.17Å; F53-F124 AromaticContact CE2-CD1 3.94Å; F53-F124 HydrophobicContact CE2-CD1 3.94Å; F53-F124 HydrophobicContact CE2-CD2 4.42Å; F53-F124 AromaticContact CE2-CE1 3.41Å; F53-F124 HydrophobicContact CE2-CE1 3.41Å; F53-F124 VanDerWaalsContact CE2-CE1 3.41Å; F53-F124 AromaticContact CE2-CE2 3.92Å; F53-F124 HydrophobicContact CE2-CE2 3.92Å; F53-F124 HydrophobicContact CE2-CG 4.42Å; F53-F124 AromaticContact CE2-CZ 3.39Å; F53-F124 HydrophobicContact CE2-CZ 3.39Å; F53-F124 AromaticContact CZ-CD1 3.61Å; F53-F124 HydrophobicContact CZ-CD1 3.61Å; F53-F124 AromaticContact CZ-CE1 3.46Å; F53-F124 HydrophobicContact CZ-CE1 3.46Å; F53-F124 VanDerWaalsContact CZ-CE1 3.46Å; F53-F124 HydrophobicContact CZ-CG 4.24Å; F53-F124 AromaticContact CZ-CZ 3.95Å; F53-F124 HydrophobicContact CZ-CZ 3.95Å; F53-M209 HydrophobicContact CD1-CE 3.4Å; F53-M209 HydrophobicContact CE1-CE 3.43Å; F53-M209 VanDerWaalsContact CE1-CE 3.43Å; F53-M209 HydrophobicContact CE1-SD 4.49Å; F53-M209 HydrophobicContact CG-CE 3.97Å; F53-M209 HydrophobicContact CZ-CE 4.03Å |
| 54 | M | 95.9 | Very high | 94.9 | Very high | 85 Ų | 85 | 54.9 Ų | 54.9 | 42% | 0.419 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.8 | -48.4 | 177 | -172.4 | -168 | 78.8 | 0 | 0 | 110.3 | T50 S51 P52 L58 | T50-M54 HydrophobicContact CG2-CB 4.42Å; T50-M54 HydrophobicContact CG2-CE 3.21Å; T50-M54 HydrophobicContact CG2-SD 3.72Å; S51-M54 WeakPolarHBondContact O-CB 3.4Å; S51-M54 PolarHBondContact O-N 3.46Å; S51-M54 PolarHBondContact OG-N 2.84Å; P52-M54 VanDerWaalsContact C-N 3.31Å; P52-M54 PolarHBondContact O-N 3.39Å; M54-L58 WeakPolarHBondContact O-CB 3.31Å; M54-L58 PolarHBondContact O-N 3.29Å |
| 55 | W | 96.3 | Very high | 95.2 | Very high | 38 Ų | 38 | 54.6 Ų | 54.6 | 14% | 0.144 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.2 | -47.8 | 179.1 | -64.2 | 108.7 | 0 | 0 | 0 | 112 | F46 L47 P52 F53 G59 G140 Y141 F144 | F46-W55 HydrophobicContact CE1-CZ2 4.26Å; L47-W55 HydrophobicContact CD2-CZ2 4.42Å; P52-W55 PolarHBondContact O-N 3.12Å; F53-W55 VanDerWaalsContact C-N 3.34Å; F53-W55 PolarHBondContact O-N 3.05Å; W55-G59 PolarHBondContact O-N 3.44Å; W55-G140 WeakPolarHBondContact CB-O 3.31Å; W55-Y141 AromaticContact CD1-CE1 3.63Å; W55-Y141 HydrophobicContact CD2-CD1 4.26Å; W55-Y141 HydrophobicContact CD2-CE1 4.19Å; W55-Y141 AromaticContact CE2-CE1 3.9Å; W55-Y141 HydrophobicContact CG-CD1 4.03Å; W55-Y141 HydrophobicContact CG-CE1 4.02Å; W55-Y141 AromaticContact NE1-CE1 3.54Å; W55-F144 HydrophobicContact CB-CB 4Å; W55-F144 HydrophobicContact CE3-CB 4.3Å; W55-F144 AromaticContact CE3-CD1 3.57Å; W55-F144 HydrophobicContact CE3-CD1 3.57Å; W55-F144 AromaticContact CE3-CD2 3.91Å; W55-F144 HydrophobicContact CE3-CD2 3.91Å; W55-F144 AromaticContact CE3-CE1 3.72Å; W55-F144 HydrophobicContact CE3-CE1 3.72Å; W55-F144 HydrophobicContact CE3-CE2 4.07Å; W55-F144 AromaticContact CE3-CG 3.65Å; W55-F144 HydrophobicContact CE3-CG 3.65Å; W55-F144 AromaticContact CE3-CZ 3.96Å; W55-F144 HydrophobicContact CE3-CZ 3.96Å; W55-F144 AromaticContact CZ3-CD1 3.87Å; W55-F144 HydrophobicContact CZ3-CD1 3.87Å; W55-F144 AromaticContact CZ3-CE1 3.54Å; W55-F144 HydrophobicContact CZ3-CE1 3.54Å; W55-F144 HydrophobicContact CZ3-CE2 4.26Å; W55-F144 HydrophobicContact CZ3-CG 4.34Å; W55-F144 AromaticContact CZ3-CZ 3.75Å; W55-F144 HydrophobicContact CZ3-CZ 3.75Å; W55-F144 WeakPolarHBondContact O-CB 3.42Å |
| 56 | A | 95.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60 | -52.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | P52 F53 L58 G59 I60 M143 M209 | P52-A56 PolarHBondContact O-N 3.08Å; F53-A56 PolarHBondContact O-N 3.3Å; A56-L58 PolarHBondContact O-N 2.95Å; A56-G59 PolarHBondContact O-N 2.99Å; A56-I60 WeakPolarHBondContact O-CG1 3.45Å; A56-I60 PolarHBondContact O-N 2.91Å; A56-M143 HydrophobicContact CB-CB 4.12Å; A56-M143 HydrophobicContact CB-SD 3.6Å; A56-M143 VanDerWaalsContact CB-SD 3.6Å; A56-M209 HydrophobicContact CB-SD 4.31Å |
| 57 | N | 96.8 | Very high | 95.7 | Very high | 95 Ų | 95 | 43.9 Ų | 43.9 | 51% | 0.508 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -67.8 | -37.5 | -177.1 | -69.3 | -37.6 | 0 | 0 | 0 | 112.3 | F53 G59 I60 G61 | F53-N57 VanDerWaalsContact O-CB 3.27Å; F53-N57 WeakPolarHBondContact O-CB 3.46Å; F53-N57 VanDerWaalsContact O-CG 3.3Å; F53-N57 PolarHBondContact O-N 3.44Å; F53-N57 PolarHBondContact O-ND2 3.21Å; N57-G59 VanDerWaalsContact C-N 3.32Å; N57-I60 PolarHBondContact O-N 3.41Å; N57-G61 PolarHBondContact O-N 3.21Å |
| 58 | L | 97.9 | Very high | 95.9 | Very high | 79 Ų | 79 | 44.2 Ų | 44.2 | 41% | 0.414 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64 | -40.8 | 173.4 | -176.1 | 61.5 | 0 | 0 | 0 | 110.8 | M54 A56 G61 L62 F144 | M54-L58 WeakPolarHBondContact O-CB 3.31Å; M54-L58 PolarHBondContact O-N 3.29Å; A56-L58 PolarHBondContact O-N 2.95Å; L58-G61 PolarHBondContact O-N 3.29Å; L58-L62 HydrophobicContact CD1-CD1 3.98Å; L58-L62 HydrophobicContact CD1-CG 4.03Å; L58-L62 HydrophobicContact CD2-CD1 4.47Å; L58-L62 HydrophobicContact CG-CD1 3.81Å; L58-L62 HydrophobicContact CG-CG 4.26Å; L58-L62 VanDerWaalsContact O-CB 3.31Å; L58-L62 WeakPolarHBondContact O-CB 3.38Å; L58-L62 WeakPolarHBondContact O-CG 3.29Å; L58-L62 PolarHBondContact O-N 3.46Å; L58-F144 HydrophobicContact CB-CD2 4.36Å; L58-F144 HydrophobicContact CB-CE2 4.4Å; L58-F144 HydrophobicContact CD2-CD2 4.32Å; L58-F144 HydrophobicContact CD2-CE2 3.62Å; L58-F144 HydrophobicContact CD2-CZ 4.41Å; L58-F144 HydrophobicContact CG-CD2 4.32Å; L58-F144 HydrophobicContact CG-CE2 3.88Å |
| 59 | G | 97.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -57.7 | -50.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | W55 A56 N57 G61 L62 A63 G147 | W55-G59 PolarHBondContact O-N 3.44Å; A56-G59 PolarHBondContact O-N 2.99Å; N57-G59 VanDerWaalsContact C-N 3.32Å; G59-G61 PolarHBondContact O-N 2.8Å; G59-L62 PolarHBondContact O-N 2.74Å; G59-A63 WeakPolarHBondContact O-CB 3.35Å; G59-A63 PolarHBondContact O-N 2.81Å; G59-G147 WeakPolarHBondContact O-CA 3.27Å |
| 60 | I | 97.5 | Very high | 96.7 | Very high | 24 Ų | 24 | 39.3 Ų | 39.3 | 12% | 0.123 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.7 | -46.5 | 178.1 | -64.3 | 159.5 | 0 | 0 | 0 | 110.7 | A56 N57 A63 I64 A114 I117 | A56-I60 WeakPolarHBondContact O-CG1 3.45Å; A56-I60 PolarHBondContact O-N 2.91Å; N57-I60 PolarHBondContact O-N 3.41Å; I60-A63 WeakPolarHBondContact O-CB 3.3Å; I60-A63 PolarHBondContact O-N 2.97Å; I60-I64 PolarHBondContact O-N 3.38Å; I60-A114 HydrophobicContact CG2-CB 4.28Å; I60-I117 HydrophobicContact CD1-CG2 4.24Å; I60-I117 HydrophobicContact CG1-CB 4.04Å; I60-I117 HydrophobicContact CG1-CG2 3.54Å |
| 61 | G | 97.9 | Very high | 96.9 | Very high | 33 Ų | 33 | 38.3 Ų | 38.3 | 34% | 0.34 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -63.5 | -43 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | N57 L58 G59 I64 S65 | N57-G61 PolarHBondContact O-N 3.21Å; L58-G61 PolarHBondContact O-N 3.29Å; G59-G61 PolarHBondContact O-N 2.8Å; G61-I64 WeakPolarHBondContact O-CG2 3.36Å; G61-S65 VanDerWaalsContact O-CB 3.28Å; G61-S65 WeakPolarHBondContact O-CB 3.33Å; G61-S65 PolarHBondContact O-N 2.91Å; G61-S65 PolarHBondContact O-OG 3.49Å |
| 62 | L | 97.8 | Very high | 97.2 | Very high | 42 Ų | 42 | 38.2 Ų | 38.2 | 22% | 0.22 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -68.9 | -34.2 | 178.1 | -70.6 | 176.9 | 0 | 0 | 0 | 112.4 | L58 G59 I64 S65 L66 F144 L148 | L58-L62 HydrophobicContact CD1-CD1 3.98Å; L58-L62 HydrophobicContact CD1-CG 4.03Å; L58-L62 HydrophobicContact CD2-CD1 4.47Å; L58-L62 HydrophobicContact CG-CD1 3.81Å; L58-L62 HydrophobicContact CG-CG 4.26Å; L58-L62 VanDerWaalsContact O-CB 3.31Å; L58-L62 WeakPolarHBondContact O-CB 3.38Å; L58-L62 WeakPolarHBondContact O-CG 3.29Å; L58-L62 PolarHBondContact O-N 3.46Å; G59-L62 PolarHBondContact O-N 2.74Å; L62-I64 PolarHBondContact O-N 3.01Å; L62-S65 WeakPolarHBondContact CA-OG 3.27Å; L62-L66 HydrophobicContact CB-CD1 4.24Å; L62-L66 HydrophobicContact CD2-CD1 4.29Å; L62-L66 HydrophobicContact CD2-CG 4.37Å; L62-L66 VanDerWaalsContact O-CB 3.29Å; L62-L66 WeakPolarHBondContact O-CB 3.36Å; L62-L66 WeakPolarHBondContact O-CG 3.32Å; L62-L66 PolarHBondContact O-N 2.78Å; L62-L66 VanDerWaalsContact O-N 3.1Å; L62-F144 HydrophobicContact CD1-CE2 4.16Å; L62-L148 HydrophobicContact CD1-CD2 3.57Å; L62-L148 HydrophobicContact CD1-CG 4.49Å |
| 63 | A | 97.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -56.5 | -50.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | G59 I60 S67 A114 V150 | G59-A63 WeakPolarHBondContact O-CB 3.35Å; G59-A63 PolarHBondContact O-N 2.81Å; I60-A63 WeakPolarHBondContact O-CB 3.3Å; I60-A63 PolarHBondContact O-N 2.97Å; A63-S67 VanDerWaalsContact O-CB 3.3Å; A63-S67 WeakPolarHBondContact O-CB 3.29Å; A63-S67 PolarHBondContact O-OG 3.22Å; A63-A114 HydrophobicContact CB-CB 4.37Å; A63-V150 HydrophobicContact CB-CG1 3.61Å |
| 64 | I | 98.3 | Very high | 97.6 | Very high | 62 Ų | 62 | 42.1 Ų | 42.1 | 32% | 0.318 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -77 | -47.4 | -179.1 | -171.2 | 167.7 | 0 | 0 | 0 | 112.1 | I60 G61 L62 S67 V68 I111 A114 | I60-I64 PolarHBondContact O-N 3.38Å; G61-I64 WeakPolarHBondContact O-CG2 3.36Å; L62-I64 PolarHBondContact O-N 3.01Å; I64-S67 PolarHBondContact O-N 3.42Å; I64-V68 HydrophobicContact CG1-CG2 4.26Å; I64-V68 VanDerWaalsContact O-CG2 3.29Å; I64-V68 WeakPolarHBondContact O-CG2 3.48Å; I64-V68 PolarHBondContact O-N 3.31Å; I64-I111 HydrophobicContact CD1-CB 4.21Å; I64-I111 HydrophobicContact CD1-CD1 4.36Å; I64-I111 HydrophobicContact CD1-CG1 4.03Å; I64-A114 HydrophobicContact CB-CB 3.96Å; I64-A114 HydrophobicContact CG2-CB 4.49Å |
| 65 | S | 98.2 | Very high | 97.7 | Very high | 54 Ų | 54 | 41.1 Ų | 41.1 | 38% | 0.378 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.8 | -48.5 | -173.7 | 56.7 | 0 | 0 | 0 | 0 | 112.3 | G61 L62 S67 V68 V69 | G61-S65 VanDerWaalsContact O-CB 3.28Å; G61-S65 WeakPolarHBondContact O-CB 3.33Å; G61-S65 PolarHBondContact O-N 2.91Å; G61-S65 PolarHBondContact O-OG 3.49Å; L62-S65 WeakPolarHBondContact CA-OG 3.27Å; S65-S67 PolarHBondContact O-N 2.98Å; S65-V68 PolarHBondContact O-N 3.08Å; S65-V69 VanDerWaalsContact O-CG2 3.3Å; S65-V69 WeakPolarHBondContact O-CG2 3.49Å; S65-V69 PolarHBondContact O-N 2.96Å |
| 66 | L | 98.1 | Very high | 97.7 | Very high | 31 Ų | 31 | 47.1 Ų | 47.1 | 16% | 0.162 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.5 | -37.6 | 179.9 | -64.2 | 176.4 | 0 | 0 | 0 | 112.2 | L62 V69 G70 F152 | L62-L66 HydrophobicContact CB-CD1 4.24Å; L62-L66 HydrophobicContact CD2-CD1 4.29Å; L62-L66 HydrophobicContact CD2-CG 4.37Å; L62-L66 VanDerWaalsContact O-CB 3.29Å; L62-L66 WeakPolarHBondContact O-CB 3.36Å; L62-L66 WeakPolarHBondContact O-CG 3.32Å; L62-L66 PolarHBondContact O-N 2.78Å; L62-L66 VanDerWaalsContact O-N 3.1Å; L66-V69 PolarHBondContact O-N 3.44Å; L66-G70 PolarHBondContact O-N 2.91Å; L66-F152 HydrophobicContact CD1-CD1 4.42Å; L66-F152 HydrophobicContact CD1-CD2 4.16Å; L66-F152 HydrophobicContact CD1-CE1 4.31Å; L66-F152 HydrophobicContact CD1-CE2 4.07Å; L66-F152 HydrophobicContact CD1-CG 4.34Å; L66-F152 HydrophobicContact CD1-CZ 4.13Å |
| 67 | S | 98.1 | Very high | 97.8 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.3 | -44.3 | 175.7 | -61.6 | 0 | 0 | 0 | 0 | 111.7 | A63 I64 S65 G70 A71 G110 N154 | A63-S67 VanDerWaalsContact O-CB 3.3Å; A63-S67 WeakPolarHBondContact O-CB 3.29Å; A63-S67 PolarHBondContact O-OG 3.22Å; I64-S67 PolarHBondContact O-N 3.42Å; S65-S67 PolarHBondContact O-N 2.98Å; S67-G70 PolarHBondContact O-N 3.42Å; S67-A71 PolarHBondContact O-N 3.48Å; S67-G110 WeakPolarHBondContact OG-CA 3.19Å; S67-N154 VanDerWaalsContact OG-CB 3.31Å; S67-N154 WeakPolarHBondContact OG-CB 3.47Å; S67-N154 PolarHBondContact OG-ND2 3.22Å |
| 68 | V | 98.3 | Very high | 97.8 | Very high | 70 Ų | 70 | 44.2 Ų | 44.2 | 42% | 0.424 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -68.7 | -37.4 | 178.7 | 173.9 | 0 | 0 | 0 | 0 | 111.5 | I64 S65 G70 A71 A72 A107 | I64-V68 HydrophobicContact CG1-CG2 4.26Å; I64-V68 VanDerWaalsContact O-CG2 3.29Å; I64-V68 WeakPolarHBondContact O-CG2 3.48Å; I64-V68 PolarHBondContact O-N 3.31Å; S65-V68 PolarHBondContact O-N 3.08Å; V68-G70 VanDerWaalsContact C-N 3.33Å; V68-G70 PolarHBondContact O-N 2.89Å; V68-A71 PolarHBondContact O-N 3.42Å; V68-A72 WeakPolarHBondContact O-CB 3.27Å; V68-A72 PolarHBondContact O-N 2.95Å; V68-A107 HydrophobicContact CG2-CB 4.29Å |
| 69 | V | 98.4 | Very high | 97.8 | Very high | 73 Ų | 73 | 41.1 Ų | 41.1 | 44% | 0.442 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -59.3 | -44.8 | 173.2 | 170.2 | 0 | 0 | 0 | 0 | 110.7 | S65 L66 A72 W73 L155 | S65-V69 VanDerWaalsContact O-CG2 3.3Å; S65-V69 WeakPolarHBondContact O-CG2 3.49Å; S65-V69 PolarHBondContact O-N 2.96Å; L66-V69 PolarHBondContact O-N 3.44Å; V69-A72 PolarHBondContact O-N 3.49Å; V69-W73 WeakPolarHBondContact O-CB 3.39Å; V69-W73 PolarHBondContact O-N 3.38Å; V69-L155 HydrophobicContact CB-CD1 4.29Å; V69-L155 HydrophobicContact CG1-CD1 3.85Å |
| 70 | G | 97.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.6 | -44.7 | 176 | 0 | 0 | 0 | 0 | 0 | 113.8 | L66 S67 V68 W73 G74 | L66-G70 PolarHBondContact O-N 2.91Å; S67-G70 PolarHBondContact O-N 3.42Å; V68-G70 VanDerWaalsContact C-N 3.33Å; V68-G70 PolarHBondContact O-N 2.89Å; G70-W73 PolarHBondContact O-N 3.34Å; G70-G74 PolarHBondContact O-N 2.89Å |
| 71 | A | 97.6 | Very high | 97.7 | Very high | 4 Ų | 4 | 43.6 Ų | 43.6 | 3% | 0.033 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.2 | -49.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | S67 V68 W73 G74 I75 C103 A107 | S67-A71 PolarHBondContact O-N 3.48Å; V68-A71 PolarHBondContact O-N 3.42Å; A71-W73 VanDerWaalsContact C-N 3.31Å; A71-W73 PolarHBondContact O-N 3.2Å; A71-G74 PolarHBondContact O-N 3.12Å; A71-I75 WeakPolarHBondContact O-CB 3.26Å; A71-I75 WeakPolarHBondContact O-CD1 3.47Å; A71-I75 WeakPolarHBondContact O-CG1 3.24Å; A71-I75 PolarHBondContact O-N 3.14Å; A71-C103 WeakPolarHBondContact CB-O 3.45Å; A71-A107 HydrophobicContact CB-CB 3.78Å |
| 72 | A | 98.2 | Very high | 97.6 | Very high | 56 Ų | 56 | 42.7 Ų | 42.7 | 46% | 0.463 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -60.2 | -41.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | V68 V69 I75 Y76 | V68-A72 WeakPolarHBondContact O-CB 3.27Å; V68-A72 PolarHBondContact O-N 2.95Å; V69-A72 PolarHBondContact O-N 3.49Å; A72-I75 PolarHBondContact O-N 2.92Å; A72-Y76 WeakPolarHBondContact O-CB 3.41Å; A72-Y76 PolarHBondContact O-N 2.9Å |
| 73 | W | 98.1 | Very high | 97.6 | Very high | 139 Ų | 139 | 46.7 Ų | 46.7 | 53% | 0.527 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.9 | -47.5 | 175.9 | -156.9 | -39.3 | 0 | 0 | 0 | 111.1 | V69 G70 A71 I75 Y76 I77 I159 | V69-W73 WeakPolarHBondContact O-CB 3.39Å; V69-W73 PolarHBondContact O-N 3.38Å; G70-W73 PolarHBondContact O-N 3.34Å; A71-W73 VanDerWaalsContact C-N 3.31Å; A71-W73 PolarHBondContact O-N 3.2Å; W73-I75 PolarHBondContact O-N 3.31Å; W73-Y76 PolarHBondContact O-N 3.41Å; W73-I77 WeakPolarHBondContact O-CG1 3.44Å; W73-I77 PolarHBondContact O-N 3.22Å; W73-I159 HydrophobicContact CB-CG1 4.17Å; W73-I159 HydrophobicContact CD2-CD1 4.36Å; W73-I159 HydrophobicContact CD2-CG1 4.34Å; W73-I159 HydrophobicContact CE3-CD1 4.34Å; W73-I159 HydrophobicContact CG-CG1 4.09Å |
| 74 | G | 97.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.6 | -41.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | G70 A71 I77 T78 G158 | G70-G74 PolarHBondContact O-N 2.89Å; A71-G74 PolarHBondContact O-N 3.12Å; G74-I77 PolarHBondContact O-N 3.41Å; G74-T78 PolarHBondContact O-N 3.42Å; G74-T78 PolarHBondContact O-OG1 2.87Å; G74-G158 WeakPolarHBondContact CA-O 3.41Å |
| 75 | I | 97.9 | Very high | 97.2 | Very high | 63 Ų | 63 | 46.8 Ų | 46.8 | 32% | 0.323 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.6 | -46.7 | 175.7 | -67.8 | 165.6 | 0 | 0 | 0 | 110.6 | A71 A72 W73 G79 I100 C103 | A71-I75 WeakPolarHBondContact O-CB 3.26Å; A71-I75 WeakPolarHBondContact O-CD1 3.47Å; A71-I75 WeakPolarHBondContact O-CG1 3.24Å; A71-I75 PolarHBondContact O-N 3.14Å; A72-I75 PolarHBondContact O-N 2.92Å; W73-I75 PolarHBondContact O-N 3.31Å; I75-G79 WeakPolarHBondContact O-CA 3.43Å; I75-G79 PolarHBondContact O-N 2.88Å; I75-I100 HydrophobicContact CG1-CG2 4.31Å; I75-C103 HydrophobicContact CG1-CB 3.83Å |
| 76 | Y | 97.9 | Very high | 97.1 | Very high | 165 Ų | 165 | 45 Ų | 45 | 65% | 0.647 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -60.6 | -47.5 | 178.9 | 163.4 | -110.9 | 0 | 0 | 0 | 112 | A72 W73 S80 | A72-Y76 WeakPolarHBondContact O-CB 3.41Å; A72-Y76 PolarHBondContact O-N 2.9Å; W73-Y76 PolarHBondContact O-N 3.41Å; Y76-S80 WeakPolarHBondContact O-CB 3.34Å; Y76-S80 PolarHBondContact O-N 3.22Å; Y76-S80 PolarHBondContact O-OG 2.96Å |
| 77 | I | 97.6 | Very high | 97 | Very high | 33 Ų | 33 | 49.6 Ų | 49.6 | 17% | 0.169 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60 | -54.3 | 179.6 | -67.7 | 170.6 | 0 | 0 | 0 | 110.2 | W73 G74 S80 G162 I163 | W73-I77 WeakPolarHBondContact O-CG1 3.44Å; W73-I77 PolarHBondContact O-N 3.22Å; G74-I77 PolarHBondContact O-N 3.41Å; I77-S80 PolarHBondContact O-OG 3.33Å; I77-G162 WeakPolarHBondContact CG2-O 3.31Å; I77-I163 HydrophobicContact CD1-CG1 4.09Å |
| 78 | T | 96.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.5 | -43.8 | -178.4 | -60.3 | 0 | 0 | 0 | 0 | 111.9 | G74 S80 S81 I82 I100 G162 | G74-T78 PolarHBondContact O-N 3.42Å; G74-T78 PolarHBondContact O-OG1 2.87Å; T78-S80 PolarHBondContact O-N 2.96Å; T78-S81 PolarHBondContact O-N 3.01Å; T78-I82 HydrophobicContact CG2-CD1 3.7Å; T78-I82 HydrophobicContact CG2-CG1 4.17Å; T78-I82 WeakPolarHBondContact O-CG1 3.49Å; T78-I82 PolarHBondContact O-N 3.49Å; T78-I100 HydrophobicContact CG2-CG1 4.38Å; T78-G162 WeakPolarHBondContact OG1-CA 3.48Å; T78-G162 PolarHBondContact OG1-O 3.35Å |
| 79 | G | 96.6 | Very high | 96.4 | Very high | 15 Ų | 15 | 56.5 Ų | 56.5 | 16% | 0.155 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.1 | -41.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | I75 S81 I82 I83 | I75-G79 WeakPolarHBondContact O-CA 3.43Å; I75-G79 PolarHBondContact O-N 2.88Å; G79-S81 VanDerWaalsContact C-N 3.3Å; G79-S81 PolarHBondContact O-N 3.05Å; G79-I82 PolarHBondContact O-N 2.87Å; G79-I83 WeakPolarHBondContact O-CG1 3.39Å; G79-I83 PolarHBondContact O-N 3.35Å |
| 80 | S | 97.3 | Very high | 96.2 | Very high | 58 Ų | 58 | 56.8 Ų | 56.8 | 41% | 0.406 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.7 | -41 | 175.7 | 70.5 | 0 | 0 | 0 | 0 | 112.1 | Y76 I77 T78 G84 | Y76-S80 WeakPolarHBondContact O-CB 3.34Å; Y76-S80 PolarHBondContact O-N 3.22Å; Y76-S80 PolarHBondContact O-OG 2.96Å; I77-S80 PolarHBondContact O-OG 3.33Å; T78-S80 PolarHBondContact O-N 2.96Å; S80-G84 PolarHBondContact O-N 3.39Å |
| 81 | S | 96.7 | Very high | 95.9 | Very high | 17 Ų | 17 | 63 Ų | 63 | 12% | 0.119 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -72.5 | -37.1 | 177.6 | -67.9 | 0 | 0 | 0 | 0 | 113.6 | T78 G79 G84 G85 S166 | T78-S81 PolarHBondContact O-N 3.01Å; G79-S81 VanDerWaalsContact C-N 3.3Å; G79-S81 PolarHBondContact O-N 3.05Å; S81-G84 PolarHBondContact O-N 3.47Å; S81-G85 PolarHBondContact O-N 3.46Å; S81-S166 WeakPolarHBondContact CB-OG 3.43Å; S81-S166 PolarHBondContact OG-OG 3.5Å |
| 82 | I | 96.3 | Very high | 95.6 | Very high | 14 Ų | 14 | 62.8 Ų | 62.8 | 7% | 0.072 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.4 | -46.1 | 173.8 | -70.1 | 172.8 | 0 | 0 | 0 | 110.2 | T78 G79 G86 N96 I100 A169 | T78-I82 HydrophobicContact CG2-CD1 3.7Å; T78-I82 HydrophobicContact CG2-CG1 4.17Å; T78-I82 WeakPolarHBondContact O-CG1 3.49Å; T78-I82 PolarHBondContact O-N 3.49Å; G79-I82 PolarHBondContact O-N 2.87Å; I82-G86 VanDerWaalsContact O-CA 3.31Å; I82-G86 WeakPolarHBondContact O-CA 3.45Å; I82-G86 PolarHBondContact O-N 2.93Å; I82-N96 HydrophobicContact CD1-CB 3.83Å; I82-N96 HydrophobicContact CG1-CB 4.01Å; I82-I100 HydrophobicContact CD1-CD1 4.05Å; I82-I100 HydrophobicContact CD1-CG1 4.32Å; I82-A169 HydrophobicContact CG1-CB 3.72Å |
| 83 | I | 96.4 | Very high | 95.2 | Very high | 127 Ų | 127 | 66.4 Ų | 66.4 | 65% | 0.651 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -66.3 | -46.1 | 179.1 | -64.1 | 169.2 | 0 | 0 | 0 | 109.9 | G79 G86 V87 | G79-I83 WeakPolarHBondContact O-CG1 3.39Å; G79-I83 PolarHBondContact O-N 3.35Å; I83-G86 PolarHBondContact O-N 3.28Å; I83-V87 PolarHBondContact O-N 3.11Å |
| 84 | G | 96 | Very high | 94.9 | Very high | 52 Ų | 52 | 64.3 Ų | 64.3 | 54% | 0.536 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.1 | -50.2 | 179 | 0 | 0 | 0 | 0 | 0 | 113.4 | S80 S81 G86 | S80-G84 PolarHBondContact O-N 3.39Å; S81-G84 PolarHBondContact O-N 3.47Å; G84-G86 VanDerWaalsContact C-N 3.31Å; G84-G86 PolarHBondContact O-N 3.01Å |
| 85 | G | 93.2 | Very high | 94.5 | Very high | 12 Ų | 12 | 67.5 Ų | 67.5 | 12% | 0.124 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -70.2 | -28.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | S81 V87 A89 I92 | S81-G85 PolarHBondContact O-N 3.46Å; G85-V87 VanDerWaalsContact C-N 3.29Å; G85-V87 PolarHBondContact O-N 3.33Å; G85-A89 PolarHBondContact O-N 3.21Å; G85-A89 VanDerWaalsContact O-N 3.13Å; G85-I92 VanDerWaalsContact C-CD1 3.45Å |
| 86 | G | 94.1 | Very high | 94.2 | Very high | 15 Ų | 15 | 64.5 Ų | 64.5 | 16% | 0.155 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -71.3 | -18.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | I82 I83 G84 A89 P90 | I82-G86 VanDerWaalsContact O-CA 3.31Å; I82-G86 WeakPolarHBondContact O-CA 3.45Å; I82-G86 PolarHBondContact O-N 2.93Å; I83-G86 PolarHBondContact O-N 3.28Å; G84-G86 VanDerWaalsContact C-N 3.31Å; G84-G86 PolarHBondContact O-N 3.01Å; G86-A89 CarbonylContact O-C 3.58Å; G86-P90 VanDerWaalsContact O-CA 3.26Å; G86-P90 WeakPolarHBondContact O-CA 3.3Å |
| 87 | V | 96.2 | Very high | 94 | Very high | 128 Ų | 128 | 60.5 Ų | 60.5 | 78% | 0.776 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -46.8 | 175.8 | 177.6 | 0 | 0 | 0 | 0 | 111 | I83 G85 | I83-V87 PolarHBondContact O-N 3.11Å; G85-V87 VanDerWaalsContact C-N 3.29Å; G85-V87 PolarHBondContact O-N 3.33Å |
| 88 | K | 92.5 | Very high | 93.9 | Very high | 200 Ų | 200 | 61.6 Ų | 61.6 | 87% | 0.87 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -33.3 | 179.7 | -169.4 | 174.3 | -178.4 | 180 | 0 | 112.4 | P90 | K88-P90 WeakPolarHBondContact O-CD 3.45Š|
| 89 | A | 93 | Very high | 93.7 | Very high | 16 Ų | 16 | 61.6 Ų | 61.6 | 13% | 0.132 | 34% | 0.343 | C | S | . | . | trans | -123.8 | 75.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | G85 G86 R91 I92 A173 | G85-A89 PolarHBondContact O-N 3.21Å; G85-A89 VanDerWaalsContact O-N 3.13Å; G86-A89 CarbonylContact O-C 3.58Å; A89-R91 PolarHBondContact O-N 3.49Å; A89-I92 HydrophobicContact CB-CG2 4.37Å; A89-I92 WeakPolarHBondContact O-CG1 3.35Å; A89-I92 PolarHBondContact O-N 3.27Å; A89-A173 HydrophobicContact CB-CB 4.24Å | ||
| 90 | P | 92.9 | Very high | 93.7 | Very high | 78 Ų | 78 | 62.9 Ų | 62.9 | 51% | 0.506 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -11.6 | -171.3 | 26.2 | -36.1 | 0 | 0 | 0 | 114.8 | G86 K88 I92 K93 | G86-P90 VanDerWaalsContact O-CA 3.26Å; G86-P90 WeakPolarHBondContact O-CA 3.3Å; K88-P90 WeakPolarHBondContact O-CD 3.45Å; P90-I92 PolarHBondContact O-N 3.4Å; P90-K93 VanDerWaalsContact O-CD 3.31Å; P90-K93 WeakPolarHBondContact O-CD 3.47Å; P90-K93 WeakPolarHBondContact O-CG 3.2Å; P90-K93 PolarHBondContact O-N 3.08Å |
| 91 | R | 91.5 | Very high | 93.7 | Very high | 130 Ų | 130 | 64.8 Ų | 64.8 | 49% | 0.491 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -23.3 | 175.4 | 68.7 | -169.3 | -173.4 | 128.1 | 13.6 | 113.9 | A89 K93 D172 A176 | A89-R91 PolarHBondContact O-N 3.49Å; R91-K93 VanDerWaalsContact C-N 3.25Å; R91-K93 PolarHBondContact O-N 3.28Å; R91-D172 PolarHBondContact NH2-O 3.02Å; R91-A176 VanDerWaalsContact NH2-CB 3.33Å |
| 92 | I | 92.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -73.3 | -19.4 | -177.9 | 74.8 | -179.5 | 0 | 0 | 0 | 112.4 | G85 A89 P90 T94 K95 N96 D172 A173 | G85-I92 VanDerWaalsContact C-CD1 3.45Å; A89-I92 HydrophobicContact CB-CG2 4.37Å; A89-I92 WeakPolarHBondContact O-CG1 3.35Å; A89-I92 PolarHBondContact O-N 3.27Å; P90-I92 PolarHBondContact O-N 3.4Å; I92-T94 VanDerWaalsContact C-N 3.26Å; I92-T94 PolarHBondContact O-N 3.02Å; I92-K95 PolarHBondContact O-N 3.19Å; I92-N96 WeakPolarHBondContact O-CB 3.44Å; I92-N96 PolarHBondContact O-N 3.08Å; I92-N96 PolarHBondContact O-OD1 3.42Å; I92-D172 HydrophobicContact CG2-CB 4.3Å; I92-D172 WeakPolarHBondContact CG2-OD2 3.36Å; I92-A173 HydrophobicContact CD1-CB 4.09Å; I92-A173 HydrophobicContact CG2-CB 4.32Å |
| 93 | K | 89.4 | Confident | 93.5 | Very high | 132 Ų | 132 | 65.7 Ų | 65.7 | 57% | 0.574 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -62.1 | -28.3 | -172.8 | 79 | -170.9 | 178.1 | 175.7 | 0 | 114.4 | P90 R91 L97 | P90-K93 VanDerWaalsContact O-CD 3.31Å; P90-K93 WeakPolarHBondContact O-CD 3.47Å; P90-K93 WeakPolarHBondContact O-CG 3.2Å; P90-K93 PolarHBondContact O-N 3.08Å; R91-K93 VanDerWaalsContact C-N 3.25Å; R91-K93 PolarHBondContact O-N 3.28Å; K93-L97 VanDerWaalsContact O-CG 3.24Å; K93-L97 WeakPolarHBondContact O-CG 3.45Å |
| 94 | T | 91.1 | Very high | 93.5 | Very high | 96 Ų | 96 | 64.5 Ų | 64.5 | 59% | 0.589 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -99.1 | -39.6 | -179.4 | 47.9 | 0 | 0 | 0 | 0 | 111.7 | I92 | I92-T94 VanDerWaalsContact C-N 3.26Å; I92-T94 PolarHBondContact O-N 3.02Å |
| 95 | K | 90.3 | Very high | 93.5 | Very high | 67 Ų | 67 | 63 Ų | 63 | 29% | 0.291 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -68.9 | -40.1 | -177.1 | -169.1 | -178.5 | 174.9 | -163 | 0 | 112.5 | I92 L97 D172 A176 F179 | I92-K95 PolarHBondContact O-N 3.19Å; K95-L97 VanDerWaalsContact C-N 3.3Å; K95-L97 PolarHBondContact O-N 2.98Å; K95-D172 IonicContact NZ-OD1 2.78Å; K95-D172 PolarHBondContact NZ-OD1 3.05Å; K95-D172 IonicContact NZ-OD2 3.84Å; K95-A176 PolarHBondContact NZ-O 2.93Å; K95-F179 HydrophobicContact CD-CD1 4.15Å; K95-F179 HydrophobicContact CD-CG 4.34Å; K95-F179 HydrophobicContact CG-CD1 4Å; K95-F179 HydrophobicContact CG-CE1 3.94Å; K95-F179 HydrophobicContact CG-CG 4.44Å; K95-F179 HydrophobicContact CG-CZ 4.38Å; K95-F179 WeakPolarHBondContact O-CZ 3.37Å |
| 96 | N | 91.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 2.4 | -177.5 | -66.1 | 74.4 | 0 | 0 | 0 | 114 | I82 I92 V98 S99 A169 D172 F179 | I82-N96 HydrophobicContact CD1-CB 3.83Å; I82-N96 HydrophobicContact CG1-CB 4.01Å; I92-N96 WeakPolarHBondContact O-CB 3.44Å; I92-N96 PolarHBondContact O-N 3.08Å; I92-N96 PolarHBondContact O-OD1 3.42Å; N96-V98 PolarHBondContact O-N 3.18Å; N96-S99 PolarHBondContact O-N 2.91Å; N96-A169 VanDerWaalsContact ND2-CA 3.27Å; N96-A169 WeakPolarHBondContact ND2-CA 3.49Å; N96-A169 PolarHBondContact ND2-N 3.07Å; N96-D172 PolarHBondContact OD1-OD2 3.18Å; N96-F179 HydrophobicContact CB-CE2 4.36Å; N96-F179 VanDerWaalsContact ND2-CD2 3.33Å; N96-F179 WeakPolarHBondContact ND2-CD2 3.44Å; N96-F179 VanDerWaalsContact ND2-CE2 3.29Å; N96-F179 WeakPolarHBondContact ND2-CE2 3.28Å |
| 97 | L | 93.8 | Very high | 93.8 | Very high | 80 Ų | 80 | 62.8 Ų | 62.8 | 42% | 0.419 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.2 | -23.2 | 172.2 | -69.3 | 177.6 | 0 | 0 | 0 | 112.5 | K93 K95 S99 I100 I101 | K93-L97 VanDerWaalsContact O-CG 3.24Å; K93-L97 WeakPolarHBondContact O-CG 3.45Å; K95-L97 VanDerWaalsContact C-N 3.3Å; K95-L97 PolarHBondContact O-N 2.98Å; L97-S99 PolarHBondContact O-N 3.44Å; L97-I100 HydrophobicContact CD2-CD1 4.04Å; L97-I100 WeakPolarHBondContact O-CB 3.49Å; L97-I100 PolarHBondContact O-N 3.26Å; L97-I100 VanDerWaalsContact O-N 3.08Å; L97-I101 WeakPolarHBondContact O-CG1 3.29Å; L97-I101 PolarHBondContact O-N 3.41Å; L97-I101 VanDerWaalsContact O-N 3.08Å |
| 98 | V | 94.2 | Very high | 93.9 | Very high | 57 Ų | 57 | 60.5 Ų | 60.5 | 35% | 0.345 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -56.2 | -39.2 | 175.9 | -178 | 0 | 0 | 0 | 0 | 111.4 | N96 I100 I101 F102 F179 L183 | N96-V98 PolarHBondContact O-N 3.18Å; V98-I100 VanDerWaalsContact C-N 3.33Å; V98-I100 PolarHBondContact O-N 2.92Å; V98-I101 PolarHBondContact O-N 3.46Å; V98-F102 HydrophobicContact CG1-CD2 4.08Å; V98-F102 HydrophobicContact CG1-CE2 3.59Å; V98-F102 HydrophobicContact CG1-CZ 4.09Å; V98-F102 WeakPolarHBondContact O-CD2 3.26Å; V98-F102 PolarHBondContact O-N 3.22Å; V98-F179 HydrophobicContact CB-CZ 4.45Å; V98-L183 HydrophobicContact CG1-CD1 4.02Å |
| 99 | S | 93.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.5 | -33.2 | 178.6 | -51 | 0 | 0 | 0 | 0 | 112.6 | N96 L97 C103 E186 | N96-S99 PolarHBondContact O-N 2.91Å; L97-S99 PolarHBondContact O-N 3.44Å; S99-C103 PolarHBondContact O-N 2.93Å; S99-C103 PolarHBondContact O-SG 3.32Å; S99-E186 WeakPolarHBondContact CA-OE2 3.25Å; S99-E186 VanDerWaalsContact CB-OE2 3.3Å; S99-E186 WeakPolarHBondContact CB-OE2 3.16Å; S99-E186 VanDerWaalsContact OG-CD 3.24Å; S99-E186 PolarHBondContact OG-OE1 3.31Å; S99-E186 PolarHBondContact OG-OE2 3.4Å |
| 100 | I | 96.5 | Very high | 94.3 | Very high | 42 Ų | 42 | 53 Ų | 53 | 22% | 0.215 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.8 | -42.7 | 173.2 | -67.1 | 177.1 | 0 | 0 | 0 | 110.2 | I75 T78 I82 L97 V98 F102 C103 E104 | I75-I100 HydrophobicContact CG1-CG2 4.31Å; T78-I100 HydrophobicContact CG2-CG1 4.38Å; I82-I100 HydrophobicContact CD1-CD1 4.05Å; I82-I100 HydrophobicContact CD1-CG1 4.32Å; L97-I100 HydrophobicContact CD2-CD1 4.04Å; L97-I100 WeakPolarHBondContact O-CB 3.49Å; L97-I100 PolarHBondContact O-N 3.26Å; L97-I100 VanDerWaalsContact O-N 3.08Å; V98-I100 VanDerWaalsContact C-N 3.33Å; V98-I100 PolarHBondContact O-N 2.92Å; I100-F102 VanDerWaalsContact C-N 3.31Å; I100-F102 PolarHBondContact O-N 3.34Å; I100-C103 WeakPolarHBondContact O-CB 3.14Å; I100-C103 PolarHBondContact O-N 3.42Å; I100-C103 VanDerWaalsContact O-N 3.11Å; I100-E104 PolarHBondContact O-N 3.19Å |
| 101 | I | 96.8 | Very high | 94.5 | Very high | 98 Ų | 98 | 53 Ų | 53 | 50% | 0.503 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.4 | -38.5 | 178.7 | -63.9 | 167.2 | 0 | 0 | 0 | 111 | L97 V98 C103 E104 A105 | L97-I101 WeakPolarHBondContact O-CG1 3.29Å; L97-I101 PolarHBondContact O-N 3.41Å; L97-I101 VanDerWaalsContact O-N 3.08Å; V98-I101 PolarHBondContact O-N 3.46Å; I101-C103 VanDerWaalsContact C-N 3.34Å; I101-C103 PolarHBondContact O-N 3.23Å; I101-E104 WeakPolarHBondContact O-CB 3.31Å; I101-E104 PolarHBondContact O-N 3.45Å; I101-A105 PolarHBondContact O-N 2.8Å |
| 102 | F | 95.2 | Very high | 94.8 | Very high | 50 Ų | 50 | 51.1 Ų | 51.1 | 22% | 0.219 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.7 | -37.4 | 174.1 | -72.3 | -48.1 | 0 | 0 | 0 | 112.8 | V98 I100 E104 A105 V161 L183 E186 I187 | V98-F102 HydrophobicContact CG1-CD2 4.08Å; V98-F102 HydrophobicContact CG1-CE2 3.59Å; V98-F102 HydrophobicContact CG1-CZ 4.09Å; V98-F102 WeakPolarHBondContact O-CD2 3.26Å; V98-F102 PolarHBondContact O-N 3.22Å; I100-F102 VanDerWaalsContact C-N 3.31Å; I100-F102 PolarHBondContact O-N 3.34Å; F102-E104 VanDerWaalsContact C-N 3.32Å; F102-A105 PolarHBondContact O-N 3.28Å; F102-V161 HydrophobicContact CB-CG1 3.81Å; F102-L183 HydrophobicContact CE2-CD1 3.84Å; F102-E186 HydrophobicContact CD2-CB 4.31Å; F102-I187 HydrophobicContact CE2-CG1 4.49Å; F102-I187 HydrophobicContact CZ-CG1 4.15Å |
| 103 | C | 94.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.4 | -35.1 | 173.3 | -62.2 | 0 | 0 | 0 | 0 | 111.7 | A71 I75 S99 I100 I101 V106 | A71-C103 WeakPolarHBondContact CB-O 3.45Å; I75-C103 HydrophobicContact CG1-CB 3.83Å; S99-C103 PolarHBondContact O-N 2.93Å; S99-C103 PolarHBondContact O-SG 3.32Å; I100-C103 WeakPolarHBondContact O-CB 3.14Å; I100-C103 PolarHBondContact O-N 3.42Å; I100-C103 VanDerWaalsContact O-N 3.11Å; I101-C103 VanDerWaalsContact C-N 3.34Å; I101-C103 PolarHBondContact O-N 3.23Å; C103-V106 WeakPolarHBondContact O-CB 3.49Å |
| 104 | E | 97 | Very high | 95.4 | Very high | 102 Ų | 102 | 45.2 Ų | 45.2 | 48% | 0.477 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -69.2 | -39.7 | 175.9 | -170.2 | -174.8 | 171.4 | 0 | 0 | 112.3 | I100 I101 F102 V106 A107 I108 | I100-E104 PolarHBondContact O-N 3.19Å; I101-E104 WeakPolarHBondContact O-CB 3.31Å; I101-E104 PolarHBondContact O-N 3.45Å; F102-E104 VanDerWaalsContact C-N 3.32Å; E104-V106 PolarHBondContact O-N 3.38Å; E104-V106 VanDerWaalsContact O-N 3.12Å; E104-A107 WeakPolarHBondContact O-CA 3.17Å; E104-A107 WeakPolarHBondContact O-CB 3.45Å; E104-A107 PolarHBondContact O-N 2.97Å; E104-I108 PolarHBondContact O-N 3.44Å |
| 105 | A | 95.8 | Very high | 95.7 | Very high | 20 Ų | 20 | 45 Ų | 45 | 17% | 0.165 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -55.6 | -32.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | I101 F102 A107 I108 Y109 | I101-A105 PolarHBondContact O-N 2.8Å; F102-A105 PolarHBondContact O-N 3.28Å; A105-A107 VanDerWaalsContact C-N 3.34Å; A105-A107 PolarHBondContact O-N 2.92Å; A105-I108 WeakPolarHBondContact O-CB 3.42Å; A105-I108 PolarHBondContact O-N 3.15Å; A105-Y109 WeakPolarHBondContact O-CD1 3.36Å; A105-Y109 WeakPolarHBondContact O-CD2 3.4Å; A105-Y109 VanDerWaalsContact O-CG 3.25Å; A105-Y109 PolarHBondContact O-N 3.32Å |
| 106 | V | 95.8 | Very high | 96 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.006 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.4 | -37.5 | 175 | 177.1 | 0 | 0 | 0 | 0 | 112.2 | C103 E104 Y109 G110 N154 C157 | C103-V106 WeakPolarHBondContact O-CB 3.49Å; E104-V106 PolarHBondContact O-N 3.38Å; E104-V106 VanDerWaalsContact O-N 3.12Å; V106-Y109 PolarHBondContact O-N 3.02Å; V106-G110 PolarHBondContact O-N 3.28Å; V106-N154 HydrophobicContact CG1-CB 3.44Å; V106-N154 VanDerWaalsContact CG1-CB 3.44Å; V106-N154 WeakPolarHBondContact CG1-O 3.4Å; V106-N154 PolarHBondContact O-ND2 3.42Å; V106-C157 HydrophobicContact CG2-CB 4.43Å |
| 107 | A | 97.3 | Very high | 96.2 | Very high | 21 Ų | 21 | 44.5 Ų | 44.5 | 17% | 0.174 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -69.1 | -37.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | V68 A71 E104 A105 Y109 G110 I111 | V68-A107 HydrophobicContact CG2-CB 4.29Å; A71-A107 HydrophobicContact CB-CB 3.78Å; E104-A107 WeakPolarHBondContact O-CA 3.17Å; E104-A107 WeakPolarHBondContact O-CB 3.45Å; E104-A107 PolarHBondContact O-N 2.97Å; A105-A107 VanDerWaalsContact C-N 3.34Å; A105-A107 PolarHBondContact O-N 2.92Å; A107-Y109 VanDerWaalsContact C-N 3.31Å; A107-Y109 PolarHBondContact O-N 3.37Å; A107-G110 PolarHBondContact O-N 3.49Å; A107-G110 VanDerWaalsContact O-N 3.12Å; A107-I111 PolarHBondContact O-N 2.93Å |
| 108 | I | 97.9 | Very high | 96.3 | Very high | 81 Ų | 81 | 43.5 Ų | 43.5 | 42% | 0.415 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.7 | -42.5 | 175.7 | -62.5 | 176.4 | 0 | 0 | 0 | 110.3 | E104 A105 G110 I111 I112 | E104-I108 PolarHBondContact O-N 3.44Å; A105-I108 WeakPolarHBondContact O-CB 3.42Å; A105-I108 PolarHBondContact O-N 3.15Å; I108-G110 VanDerWaalsContact C-N 3.3Å; I108-G110 PolarHBondContact O-N 2.73Å; I108-I111 VanDerWaalsContact O-CG2 3.28Å; I108-I111 WeakPolarHBondContact O-CG2 3.34Å; I108-I111 PolarHBondContact O-N 3.2Å; I108-I112 HydrophobicContact CG2-CD1 3.64Å; I108-I112 HydrophobicContact CG2-CG1 4.27Å; I108-I112 WeakPolarHBondContact O-CB 3.16Å; I108-I112 VanDerWaalsContact O-CG1 3.24Å; I108-I112 WeakPolarHBondContact O-CG1 3.2Å; I108-I112 PolarHBondContact O-N 3.46Å |
| 109 | Y | 97.2 | Very high | 96.3 | Very high | 58 Ų | 58 | 46.6 Ų | 46.6 | 23% | 0.227 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.2 | -42 | 174 | -59.1 | -24.4 | 0 | 0 | 0 | 112.2 | A105 V106 A107 M113 L194 V197 | A105-Y109 WeakPolarHBondContact O-CD1 3.36Å; A105-Y109 WeakPolarHBondContact O-CD2 3.4Å; A105-Y109 VanDerWaalsContact O-CG 3.25Å; A105-Y109 PolarHBondContact O-N 3.32Å; V106-Y109 PolarHBondContact O-N 3.02Å; A107-Y109 VanDerWaalsContact C-N 3.31Å; A107-Y109 PolarHBondContact O-N 3.37Å; Y109-M113 WeakPolarHBondContact O-CB 3.31Å; Y109-M113 WeakPolarHBondContact O-CG 3.14Å; Y109-M113 PolarHBondContact O-N 2.93Å; Y109-M113 VanDerWaalsContact O-N 3.1Å; Y109-L194 HydrophobicContact CD1-CD2 4.48Å; Y109-L194 HydrophobicContact CE1-CD2 3.87Å; Y109-L194 HydrophobicContact CE2-CD2 3.92Å; Y109-L194 HydrophobicContact CE2-CG 4.12Å; Y109-V197 HydrophobicContact CG-CG2 4.21Å |
| 110 | G | 96.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.4 | -48.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | S67 V106 A107 I108 M113 A114 N154 | S67-G110 WeakPolarHBondContact OG-CA 3.19Å; V106-G110 PolarHBondContact O-N 3.28Å; A107-G110 PolarHBondContact O-N 3.49Å; A107-G110 VanDerWaalsContact O-N 3.12Å; I108-G110 VanDerWaalsContact C-N 3.3Å; I108-G110 PolarHBondContact O-N 2.73Å; G110-M113 PolarHBondContact O-N 2.88Å; G110-A114 WeakPolarHBondContact O-CB 3.42Å; G110-A114 PolarHBondContact O-N 2.86Å; G110-N154 PolarHBondContact N-ND2 3.39Å |
| 111 | I | 97.9 | Very high | 96 | Very high | 79 Ų | 79 | 48.4 Ų | 48.4 | 41% | 0.405 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -67.9 | -38.9 | -180 | -171.3 | 168.9 | 0 | 0 | 0 | 112.1 | I64 A107 I108 M113 A114 I115 | I64-I111 HydrophobicContact CD1-CB 4.21Å; I64-I111 HydrophobicContact CD1-CD1 4.36Å; I64-I111 HydrophobicContact CD1-CG1 4.03Å; A107-I111 PolarHBondContact O-N 2.93Å; I108-I111 VanDerWaalsContact O-CG2 3.28Å; I108-I111 WeakPolarHBondContact O-CG2 3.34Å; I108-I111 PolarHBondContact O-N 3.2Å; I111-M113 VanDerWaalsContact C-N 3.34Å; I111-M113 PolarHBondContact O-N 3.06Å; I111-A114 PolarHBondContact O-N 2.65Å; I111-I115 HydrophobicContact CG1-CD1 4.07Å; I111-I115 WeakPolarHBondContact O-CG1 3.49Å; I111-I115 PolarHBondContact O-N 2.68Å |
| 112 | I | 97.7 | Very high | 95.8 | Very high | 89 Ų | 89 | 47.8 Ų | 47.8 | 46% | 0.456 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59.5 | -48.7 | 174.8 | -70.6 | 171.1 | 0 | 0 | 0 | 109.7 | I108 A114 I115 V116 | I108-I112 HydrophobicContact CG2-CD1 3.64Å; I108-I112 HydrophobicContact CG2-CG1 4.27Å; I108-I112 WeakPolarHBondContact O-CB 3.16Å; I108-I112 VanDerWaalsContact O-CG1 3.24Å; I108-I112 WeakPolarHBondContact O-CG1 3.2Å; I108-I112 PolarHBondContact O-N 3.46Å; I112-A114 PolarHBondContact O-N 3.02Å; I112-I115 PolarHBondContact O-N 3.1Å; I112-V116 HydrophobicContact CG2-CG2 4.4Å; I112-V116 VanDerWaalsContact O-CG2 3.32Å; I112-V116 WeakPolarHBondContact O-CG2 3.43Å; I112-V116 PolarHBondContact O-N 2.91Å |
| 113 | M | 97.3 | Very high | 95.5 | Very high | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -67.5 | -36.3 | -179.7 | -73.9 | -52.3 | -54.8 | 0 | 0 | 113.1 | Y109 G110 I111 I115 V116 I117 V150 V197 A200 I201 | Y109-M113 WeakPolarHBondContact O-CB 3.31Å; Y109-M113 WeakPolarHBondContact O-CG 3.14Å; Y109-M113 PolarHBondContact O-N 2.93Å; Y109-M113 VanDerWaalsContact O-N 3.1Å; G110-M113 PolarHBondContact O-N 2.88Å; I111-M113 VanDerWaalsContact C-N 3.34Å; I111-M113 PolarHBondContact O-N 3.06Å; M113-I115 VanDerWaalsContact C-N 3.33Å; M113-I115 PolarHBondContact O-N 3.35Å; M113-V116 HydrophobicContact CE-CG1 4.45Å; M113-V116 PolarHBondContact O-N 3.47Å; M113-I117 HydrophobicContact CE-CD1 4.41Å; M113-I117 HydrophobicContact CE-CG1 4.35Å; M113-I117 WeakPolarHBondContact O-CB 3.21Å; M113-I117 VanDerWaalsContact O-CG1 3.22Å; M113-I117 WeakPolarHBondContact O-CG1 3.31Å; M113-I117 PolarHBondContact O-N 3.24Å; M113-V150 HydrophobicContact CB-CG1 4.18Å; M113-V150 HydrophobicContact CB-CG2 4.1Å; M113-V150 HydrophobicContact CG-CG2 3.94Å; M113-V197 HydrophobicContact CG-CG1 4.07Å; M113-V197 HydrophobicContact CG-CG2 4.18Å; M113-V197 HydrophobicContact SD-CG1 3.87Å; M113-A200 HydrophobicContact CE-CB 3.83Å; M113-I201 HydrophobicContact CE-CG1 3.76Å; M113-I201 HydrophobicContact SD-CD1 4.08Å; M113-I201 HydrophobicContact SD-CG1 3.67Å |
| 114 | A | 97.3 | Very high | 95.2 | Very high | 7 Ų | 7 | 53.5 Ų | 53.5 | 6% | 0.058 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.6 | -43.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | I60 A63 I64 G110 I111 I112 S118 | I60-A114 HydrophobicContact CG2-CB 4.28Å; A63-A114 HydrophobicContact CB-CB 4.37Å; I64-A114 HydrophobicContact CB-CB 3.96Å; I64-A114 HydrophobicContact CG2-CB 4.49Å; G110-A114 WeakPolarHBondContact O-CB 3.42Å; G110-A114 PolarHBondContact O-N 2.86Å; I111-A114 PolarHBondContact O-N 2.65Å; I112-A114 PolarHBondContact O-N 3.02Å; A114-S118 VanDerWaalsContact O-CB 3.22Å; A114-S118 WeakPolarHBondContact O-CB 3.38Å; A114-S118 PolarHBondContact O-N 3.18Å |
| 115 | I | 97.3 | Very high | 94.6 | Very high | 93 Ų | 93 | 54.5 Ų | 54.5 | 48% | 0.477 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.7 | -45.5 | 175.9 | -66.8 | 166.3 | 0 | 0 | 0 | 110.9 | I111 I112 M113 I117 S118 N119 | I111-I115 HydrophobicContact CG1-CD1 4.07Å; I111-I115 WeakPolarHBondContact O-CG1 3.49Å; I111-I115 PolarHBondContact O-N 2.68Å; I112-I115 PolarHBondContact O-N 3.1Å; M113-I115 VanDerWaalsContact C-N 3.33Å; M113-I115 PolarHBondContact O-N 3.35Å; I115-I117 PolarHBondContact O-N 3.46Å; I115-S118 PolarHBondContact O-N 3.46Å; I115-N119 VanDerWaalsContact O-CG 3.27Å; I115-N119 PolarHBondContact O-N 3.45Å; I115-N119 PolarHBondContact O-ND2 3.4Å |
| 116 | V | 95.9 | Very high | 93.8 | Very high | 55 Ų | 55 | 54.2 Ų | 54.2 | 33% | 0.333 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.6 | -47.1 | 179.3 | 169.3 | 0 | 0 | 0 | 0 | 111.2 | I112 M113 N119 M120 | I112-V116 HydrophobicContact CG2-CG2 4.4Å; I112-V116 VanDerWaalsContact O-CG2 3.32Å; I112-V116 WeakPolarHBondContact O-CG2 3.43Å; I112-V116 PolarHBondContact O-N 2.91Å; M113-V116 HydrophobicContact CE-CG1 4.45Å; M113-V116 PolarHBondContact O-N 3.47Å; V116-N119 PolarHBondContact O-N 3.39Å; V116-M120 WeakPolarHBondContact O-CG 3.36Å |
| 117 | I | 95.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -67.8 | -39.9 | 179.1 | -61.6 | 167.2 | 0 | 0 | 0 | 110.4 | I60 M113 I115 N119 M120 M143 A146 T204 | I60-I117 HydrophobicContact CD1-CG2 4.24Å; I60-I117 HydrophobicContact CG1-CB 4.04Å; I60-I117 HydrophobicContact CG1-CG2 3.54Å; M113-I117 HydrophobicContact CE-CD1 4.41Å; M113-I117 HydrophobicContact CE-CG1 4.35Å; M113-I117 WeakPolarHBondContact O-CB 3.21Å; M113-I117 VanDerWaalsContact O-CG1 3.22Å; M113-I117 WeakPolarHBondContact O-CG1 3.31Å; M113-I117 PolarHBondContact O-N 3.24Å; I115-I117 PolarHBondContact O-N 3.46Å; I117-N119 VanDerWaalsContact C-N 3.3Å; I117-N119 PolarHBondContact O-N 3.12Å; I117-M120 WeakPolarHBondContact O-CB 3.29Å; I117-M120 PolarHBondContact O-N 2.99Å; I117-M120 VanDerWaalsContact O-N 3.11Å; I117-M143 HydrophobicContact CG2-CB 3.76Å; I117-M143 HydrophobicContact CG2-CG 3.8Å; I117-M143 HydrophobicContact CG2-SD 4.39Å; I117-A146 HydrophobicContact CD1-CB 4Å; I117-T204 HydrophobicContact CG1-CG2 4.48Å |
| 118 | S | 95.5 | Very high | 92.3 | Very high | 59 Ų | 59 | 62 Ų | 62 | 41% | 0.413 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62 | -36.7 | 177.7 | -173 | 0 | 0 | 0 | 0 | 113 | A114 I115 M120 A121 | A114-S118 VanDerWaalsContact O-CB 3.22Å; A114-S118 WeakPolarHBondContact O-CB 3.38Å; A114-S118 PolarHBondContact O-N 3.18Å; I115-S118 PolarHBondContact O-N 3.46Å; S118-M120 PolarHBondContact O-N 2.89Å; S118-A121 PolarHBondContact O-N 3.01Å |
| 119 | N | 94.6 | Very high | 91.5 | Very high | 122 Ų | 122 | 60.3 Ų | 60.3 | 65% | 0.652 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -14.1 | 178.3 | -72.3 | -23.8 | 0 | 0 | 0 | 113.3 | I115 V116 I117 | I115-N119 VanDerWaalsContact O-CG 3.27Å; I115-N119 PolarHBondContact O-N 3.45Å; I115-N119 PolarHBondContact O-ND2 3.4Å; V116-N119 PolarHBondContact O-N 3.39Å; I117-N119 VanDerWaalsContact C-N 3.3Å; I117-N119 PolarHBondContact O-N 3.12Å |
| 120 | M | 92.1 | Very high | 90.7 | Very high | 47 Ų | 47 | 65.4 Ų | 65.4 | 23% | 0.232 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | -12.4 | 176.5 | -64.1 | 170.3 | 152.1 | 0 | 0 | 112.8 | V116 I117 S118 E122 M143 T204 M209 | V116-M120 WeakPolarHBondContact O-CG 3.36Å; I117-M120 WeakPolarHBondContact O-CB 3.29Å; I117-M120 PolarHBondContact O-N 2.99Å; I117-M120 VanDerWaalsContact O-N 3.11Å; S118-M120 PolarHBondContact O-N 2.89Å; M120-E122 PolarHBondContact O-N 2.96Å; M120-M143 HydrophobicContact CB-CE 3.6Å; M120-M143 VanDerWaalsContact O-CE 3.29Å; M120-M143 WeakPolarHBondContact O-CE 3.38Å; M120-T204 WeakPolarHBondContact CE-O 3.39Å; M120-T204 HydrophobicContact SD-CG2 4.41Å; M120-M209 WeakPolarHBondContact O-CB 3.44Å |
| 121 | A | 91.8 | Very high | 90.1 | Very high | 34 Ų | 34 | 69.3 Ų | 69.3 | 28% | 0.281 | 39% | 0.391 | S | S | . | . | trans | -85.7 | 98.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | S118 M143 M209 | S118-A121 PolarHBondContact O-N 3.01Å; A121-M143 HydrophobicContact CB-SD 4.31Å; A121-M209 HydrophobicContact CB-SD 4.3Å | ||
| 122 | E | 92.5 | Very high | 89.5 | Confident | 85 Ų | 85 | 66.3 Ų | 66.3 | 40% | 0.397 | 38% | 0.375 | S | S | . | . | trans | -100.7 | 154.8 | 171.8 | -51.5 | 174.7 | 179.7 | 0 | 0 | 110.4 | M120 K208 M209 | M120-E122 PolarHBondContact O-N 2.96Å; E122-K208 WeakPolarHBondContact OE1-CE 3.32Å; E122-K208 IonicContact OE1-NZ 3.93Å; E122-K208 WeakPolarHBondContact OE2-CE 3.3Å; E122-K208 IonicContact OE2-NZ 3.87Å; E122-M209 VanDerWaalsContact CB-O 3.26Å; E122-M209 WeakPolarHBondContact CB-O 3.26Å; E122-M209 WeakPolarHBondContact CG-O 3.45Å | ||
| 123 | N | 89 | Confident | 89 | Confident | 144 Ų | 144 | 63.2 Ų | 63.2 | 77% | 0.77 | 37% | 0.366 | S | S | * | . | trans | -75.2 | 145.2 | 176.2 | -66.3 | -39.3 | 0 | 0 | 0 | 110.7 | ||||
| 124 | F | 87.5 | Confident | 88.6 | Confident | 25 Ų | 25 | 67.2 Ų | 67.2 | 11% | 0.11 | 40% | 0.398 | C | S | . | . | trans | -129.1 | 156 | 171.7 | 60.3 | -102.2 | 0 | 0 | 0 | 110 | P52 F53 G126 I132 N136 M209 D211 | P52-F124 HydrophobicContact CB-CE1 4.36Å; P52-F124 HydrophobicContact CB-CZ 4.38Å; P52-F124 HydrophobicContact CG-CE1 4.45Å; P52-F124 HydrophobicContact CG-CZ 4.07Å; F53-F124 HydrophobicContact CD2-CE1 4.08Å; F53-F124 AromaticContact CD2-CZ 3.93Å; F53-F124 HydrophobicContact CD2-CZ 3.93Å; F53-F124 HydrophobicContact CE1-CD1 4.4Å; F53-F124 HydrophobicContact CE1-CE1 4.17Å; F53-F124 AromaticContact CE2-CD1 3.94Å; F53-F124 HydrophobicContact CE2-CD1 3.94Å; F53-F124 HydrophobicContact CE2-CD2 4.42Å; F53-F124 AromaticContact CE2-CE1 3.41Å; F53-F124 HydrophobicContact CE2-CE1 3.41Å; F53-F124 VanDerWaalsContact CE2-CE1 3.41Å; F53-F124 AromaticContact CE2-CE2 3.92Å; F53-F124 HydrophobicContact CE2-CE2 3.92Å; F53-F124 HydrophobicContact CE2-CG 4.42Å; F53-F124 AromaticContact CE2-CZ 3.39Å; F53-F124 HydrophobicContact CE2-CZ 3.39Å; F53-F124 AromaticContact CZ-CD1 3.61Å; F53-F124 HydrophobicContact CZ-CD1 3.61Å; F53-F124 AromaticContact CZ-CE1 3.46Å; F53-F124 HydrophobicContact CZ-CE1 3.46Å; F53-F124 VanDerWaalsContact CZ-CE1 3.46Å; F53-F124 HydrophobicContact CZ-CG 4.24Å; F53-F124 AromaticContact CZ-CZ 3.95Å; F53-F124 HydrophobicContact CZ-CZ 3.95Å; F124-G126 WeakPolarHBondContact CE2-O 3.42Å; F124-I132 HydrophobicContact CD2-CG1 4.29Å; F124-I132 HydrophobicContact CE2-CB 4.44Å; F124-I132 HydrophobicContact CE2-CD1 3.97Å; F124-I132 HydrophobicContact CE2-CG1 3.68Å; F124-I132 HydrophobicContact CE2-CG2 4.1Å; F124-I132 HydrophobicContact CZ-CD1 4.43Å; F124-I132 HydrophobicContact CZ-CG1 4.39Å; F124-I132 HydrophobicContact CZ-CG2 4.1Å; F124-N136 HydrophobicContact CD1-CB 4.33Å; F124-N136 HydrophobicContact CE1-CB 4.23Å; F124-M209 HydrophobicContact CD1-CE 4.12Å; F124-M209 HydrophobicContact CD1-CG 4.38Å; F124-M209 HydrophobicContact CE1-CE 3.53Å; F124-D211 WeakPolarHBondContact CB-OD1 3.38Å | ||
| 125 | T | 83.9 | Confident | 88.2 | Confident | 123 Ų | 123 | 72.7 Ų | 72.7 | 76% | 0.755 | 42% | 0.418 | S | S | * | . | trans | -98 | -14.6 | -172.3 | 51.1 | 0 | 0 | 0 | 0 | 114.9 | D211 | T125-D211 PolarHBondContact N-OD2 3.45Å; T125-D211 VanDerWaalsContact N-OD2 3.09Å; T125-D211 PolarHBondContact OG1-OD2 3.17Å | ||
| 126 | G | 79.3 | Confident | 88 | Confident | 15 Ų | 15 | 68.5 Ų | 68.5 | 16% | 0.155 | 40% | 0.396 | C | S | . | . | trans | -66 | 135.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | F124 T131 I132 | F124-G126 WeakPolarHBondContact CE2-O 3.42Å; G126-T131 WeakPolarHBondContact CA-OG1 3.37Å; G126-I132 WeakPolarHBondContact O-CG1 3.43Å | ||
| 127 | T | 80.4 | Confident | 87.9 | Confident | 129 Ų | 129 | 66.9 Ų | 66.9 | 79% | 0.791 | 38% | 0.384 | S | S | * | . | trans | -113.1 | -21.5 | 178.9 | 53 | 0 | 0 | 0 | 0 | 113.5 | T131 | T127-T131 PolarHBondContact N-OG1 3.38Š| ||
| 128 | T | 81.2 | Confident | 87.8 | Confident | 55 Ų | 55 | 73 Ų | 73 | 34% | 0.337 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -96 | 150.4 | 175.4 | 71.6 | 0 | 0 | 0 | 0 | 111 | E130 T131 I132 | T128-E130 PolarHBondContact O-N 3.33Å; T128-E130 VanDerWaalsContact O-N 3.13Å; T128-E130 PolarHBondContact OG1-OE2 2.96Å; T128-T131 PolarHBondContact N-OG1 3.34Å; T128-T131 PolarHBondContact O-N 3.36Å; T128-T131 PolarHBondContact O-OG1 3.04Å; T128-T131 VanDerWaalsContact OG1-CG2 3.29Å; T128-T131 WeakPolarHBondContact OG1-CG2 3.5Å; T128-T131 PolarHBondContact OG1-N 2.92Å; T128-T131 PolarHBondContact OG1-OG1 3.31Å; T128-T131 VanDerWaalsContact OG1-OG1 3.07Å; T128-I132 WeakPolarHBondContact O-CG1 3.41Å; T128-I132 PolarHBondContact O-N 3Å |
| 129 | P | 82 | Confident | 87.7 | Confident | 46 Ų | 46 | 70.3 Ų | 70.3 | 30% | 0.299 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -55 | -33.7 | 179.1 | -27.9 | 35.7 | 0 | 0 | 0 | 114.2 | G133 Y137 | P129-G133 PolarHBondContact O-N 3.08Å; P129-Y137 WeakPolarHBondContact CA-OH 3.44Å; P129-Y137 HydrophobicContact CB-CE2 4.44Å |
| 130 | E | 80.6 | Confident | 87.7 | Confident | 166 Ų | 166 | 64.5 Ų | 64.5 | 78% | 0.776 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -70 | -35.5 | 176.5 | -52.4 | 103.8 | 178.3 | 0 | 0 | 112.5 | T128 | T128-E130 PolarHBondContact O-N 3.33Å; T128-E130 VanDerWaalsContact O-N 3.13Å; T128-E130 PolarHBondContact OG1-OE2 2.96Å |
| 131 | T | 83.7 | Confident | 87.9 | Confident | 82 Ų | 82 | 65.8 Ų | 65.8 | 50% | 0.503 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -77.7 | -34 | 179.9 | 58.2 | 0 | 0 | 0 | 0 | 112.9 | G126 T127 T128 G133 | G126-T131 WeakPolarHBondContact CA-OG1 3.37Å; T127-T131 PolarHBondContact N-OG1 3.38Å; T128-T131 PolarHBondContact N-OG1 3.34Å; T128-T131 PolarHBondContact O-N 3.36Å; T128-T131 PolarHBondContact O-OG1 3.04Å; T128-T131 VanDerWaalsContact OG1-CG2 3.29Å; T128-T131 WeakPolarHBondContact OG1-CG2 3.5Å; T128-T131 PolarHBondContact OG1-N 2.92Å; T128-T131 PolarHBondContact OG1-OG1 3.31Å; T128-T131 VanDerWaalsContact OG1-OG1 3.07Å; T131-G133 VanDerWaalsContact C-N 3.33Å |
| 132 | I | 84.8 | Confident | 88.2 | Confident | 15 Ų | 15 | 65.2 Ų | 65.2 | 8% | 0.077 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65.9 | -40.7 | 174.9 | -65.4 | 173.3 | 0 | 0 | 0 | 110.1 | P52 F124 G126 T128 N136 Y137 | P52-I132 HydrophobicContact CG-CG2 4.02Å; F124-I132 HydrophobicContact CD2-CG1 4.29Å; F124-I132 HydrophobicContact CE2-CB 4.44Å; F124-I132 HydrophobicContact CE2-CD1 3.97Å; F124-I132 HydrophobicContact CE2-CG1 3.68Å; F124-I132 HydrophobicContact CE2-CG2 4.1Å; F124-I132 HydrophobicContact CZ-CD1 4.43Å; F124-I132 HydrophobicContact CZ-CG1 4.39Å; F124-I132 HydrophobicContact CZ-CG2 4.1Å; G126-I132 WeakPolarHBondContact O-CG1 3.43Å; T128-I132 WeakPolarHBondContact O-CG1 3.41Å; T128-I132 PolarHBondContact O-N 3Å; I132-N136 HydrophobicContact CG2-CB 3.57Å; I132-N136 WeakPolarHBondContact O-CB 3.39Å; I132-N136 PolarHBondContact O-ND2 3.25Å; I132-Y137 HydrophobicContact CB-CD2 4.5Å; I132-Y137 HydrophobicContact CB-CE2 3.81Å; I132-Y137 HydrophobicContact CG2-CD2 3.85Å; I132-Y137 HydrophobicContact CG2-CE2 3.53Å |
| 133 | G | 86.4 | Confident | 88.4 | Confident | 25 Ų | 25 | 61.2 Ų | 61.2 | 26% | 0.258 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | 72.3 | 159.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | P129 T131 R135 N136 Y137 | P129-G133 PolarHBondContact O-N 3.08Å; T131-G133 VanDerWaalsContact C-N 3.33Å; G133-R135 PolarHBondContact O-N 3.2Å; G133-R135 VanDerWaalsContact O-N 3.11Å; G133-N136 PolarHBondContact O-N 3.23Å; G133-Y137 WeakPolarHBondContact O-CD2 3.45Å; G133-Y137 PolarHBondContact O-N 3.47Å |
| 134 | A | 88.6 | Confident | 88.8 | Confident | 84 Ų | 84 | 56.3 Ų | 56.3 | 69% | 0.694 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -58.6 | -28.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q138 | A134-Q138 VanDerWaalsContact O-CB 3.28Å; A134-Q138 WeakPolarHBondContact O-CB 3.4Å; A134-Q138 PolarHBondContact O-N 3.02Å |
| 135 | R | 90.8 | Very high | 89.3 | Confident | 123 Ų | 123 | 56.2 Ų | 56.2 | 46% | 0.464 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.3 | -48.9 | 178.7 | -173.7 | -177.5 | 71.9 | -170.8 | -3.9 | 112 | G133 Q138 A139 G210 D211 | G133-R135 PolarHBondContact O-N 3.2Å; G133-R135 VanDerWaalsContact O-N 3.11Å; R135-Q138 PolarHBondContact O-N 3.35Å; R135-A139 WeakPolarHBondContact O-CB 3.48Å; R135-A139 PolarHBondContact O-N 2.93Å; R135-G210 PolarHBondContact NH2-O 2.89Å; R135-D211 PolarHBondContact NH2-OXT 3.44Å |
| 136 | N | 91.9 | Very high | 89.9 | Confident | 4 Ų | 4 | 50.4 Ų | 50.4 | 2% | 0.021 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -74.5 | -34.9 | -175.8 | -75.4 | -43.2 | 0 | 0 | 0 | 112.2 | F124 I132 G133 A139 G140 G210 | F124-N136 HydrophobicContact CD1-CB 4.33Å; F124-N136 HydrophobicContact CE1-CB 4.23Å; I132-N136 HydrophobicContact CG2-CB 3.57Å; I132-N136 WeakPolarHBondContact O-CB 3.39Å; I132-N136 PolarHBondContact O-ND2 3.25Å; G133-N136 PolarHBondContact O-N 3.23Å; N136-A139 WeakPolarHBondContact O-CB 3.5Å; N136-A139 PolarHBondContact O-N 3.43Å; N136-G140 PolarHBondContact O-N 3.47Å; N136-G210 PolarHBondContact ND2-O 3.09Å; N136-G210 PolarHBondContact OD1-N 2.94Å; N136-G210 PolarHBondContact OD1-O 2.69Å; N136-G210 VanDerWaalsContact OD1-O 3.05Å |
| 137 | Y | 93.2 | Very high | 90.8 | Very high | 22 Ų | 22 | 49.7 Ų | 49.7 | 9% | 0.086 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.9 | -47.2 | 170.9 | -74.6 | -75.4 | 0 | 0 | 0 | 112.1 | T48 P52 P129 I132 G133 A139 G140 Y141 | T48-Y137 WeakPolarHBondContact O-CE1 3.32Å; T48-Y137 VanDerWaalsContact O-CZ 3.3Å; T48-Y137 PolarHBondContact O-OH 3.48Å; P52-Y137 HydrophobicContact CG-CD1 3.75Å; P52-Y137 HydrophobicContact CG-CE1 3.87Å; P52-Y137 HydrophobicContact CG-CG 4.26Å; P129-Y137 WeakPolarHBondContact CA-OH 3.44Å; P129-Y137 HydrophobicContact CB-CE2 4.44Å; I132-Y137 HydrophobicContact CB-CD2 4.5Å; I132-Y137 HydrophobicContact CB-CE2 3.81Å; I132-Y137 HydrophobicContact CG2-CD2 3.85Å; I132-Y137 HydrophobicContact CG2-CE2 3.53Å; G133-Y137 WeakPolarHBondContact O-CD2 3.45Å; G133-Y137 PolarHBondContact O-N 3.47Å; Y137-A139 PolarHBondContact O-N 3.05Å; Y137-G140 PolarHBondContact O-N 3.45Å; Y137-Y141 WeakPolarHBondContact O-CD2 3.37Å; Y137-Y141 PolarHBondContact O-N 2.95Å |
| 138 | Q | 93.8 | Very high | 91.7 | Very high | 129 Ų | 129 | 45.8 Ų | 45.8 | 60% | 0.603 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -58.2 | -38.2 | 175.2 | -177.4 | -179.7 | 0.8 | 0 | 0 | 111.3 | A134 R135 S142 | A134-Q138 VanDerWaalsContact O-CB 3.28Å; A134-Q138 WeakPolarHBondContact O-CB 3.4Å; A134-Q138 PolarHBondContact O-N 3.02Å; R135-Q138 PolarHBondContact O-N 3.35Å; Q138-S142 WeakPolarHBondContact O-CB 3.11Å; Q138-S142 PolarHBondContact O-N 3.22Å |
| 139 | A | 94.4 | Very high | 92.5 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.008 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63 | -50.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | R135 N136 Y137 Y141 S142 M143 V207 M209 | R135-A139 WeakPolarHBondContact O-CB 3.48Å; R135-A139 PolarHBondContact O-N 2.93Å; N136-A139 WeakPolarHBondContact O-CB 3.5Å; N136-A139 PolarHBondContact O-N 3.43Å; Y137-A139 PolarHBondContact O-N 3.05Å; A139-Y141 PolarHBondContact O-N 3.44Å; A139-S142 PolarHBondContact O-N 3.41Å; A139-M143 HydrophobicContact CB-CE 4.46Å; A139-M143 VanDerWaalsContact O-CG 3.25Å; A139-M143 WeakPolarHBondContact O-CG 3.1Å; A139-M143 PolarHBondContact O-N 3.13Å; A139-V207 HydrophobicContact CB-CG1 3.46Å; A139-V207 VanDerWaalsContact CB-CG1 3.46Å; A139-M209 HydrophobicContact CB-CB 3.89Å; A139-M209 HydrophobicContact CB-CG 4.29Å |
| 140 | G | 94.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57 | -45.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | W55 N136 Y137 M143 F144 | W55-G140 WeakPolarHBondContact CB-O 3.31Å; N136-G140 PolarHBondContact O-N 3.47Å; Y137-G140 PolarHBondContact O-N 3.45Å; G140-M143 PolarHBondContact O-N 3.19Å; G140-F144 WeakPolarHBondContact O-CB 3.35Å; G140-F144 PolarHBondContact O-N 3.18Å |
| 141 | Y | 96.3 | Very high | 94 | Very high | 75 Ų | 75 | 35.2 Ų | 35.2 | 29% | 0.294 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -67.8 | -39.3 | 179 | -60.6 | -39.8 | 0 | 0 | 0 | 113.4 | L47 W55 Y137 A139 F144 G145 | L47-Y141 WeakPolarHBondContact CB-OH 3.48Å; L47-Y141 HydrophobicContact CD2-CE1 4.21Å; L47-Y141 PolarHBondContact O-OH 3.24Å; W55-Y141 AromaticContact CD1-CE1 3.63Å; W55-Y141 HydrophobicContact CD2-CD1 4.26Å; W55-Y141 HydrophobicContact CD2-CE1 4.19Å; W55-Y141 AromaticContact CE2-CE1 3.9Å; W55-Y141 HydrophobicContact CG-CD1 4.03Å; W55-Y141 HydrophobicContact CG-CE1 4.02Å; W55-Y141 AromaticContact NE1-CE1 3.54Å; Y137-Y141 WeakPolarHBondContact O-CD2 3.37Å; Y137-Y141 PolarHBondContact O-N 2.95Å; A139-Y141 PolarHBondContact O-N 3.44Å; Y141-F144 PolarHBondContact O-N 3Å; Y141-G145 PolarHBondContact O-N 3.47Å |
| 142 | S | 96.6 | Very high | 94.7 | Very high | 22 Ų | 22 | 35.7 Ų | 35.7 | 15% | 0.154 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67.8 | -40.8 | 178 | -170.9 | 0 | 0 | 0 | 0 | 111.7 | Q138 A139 F144 G145 A146 Q203 | Q138-S142 WeakPolarHBondContact O-CB 3.11Å; Q138-S142 PolarHBondContact O-N 3.22Å; A139-S142 PolarHBondContact O-N 3.41Å; S142-F144 VanDerWaalsContact C-N 3.34Å; S142-F144 PolarHBondContact O-N 3.32Å; S142-G145 PolarHBondContact O-N 3.06Å; S142-A146 VanDerWaalsContact O-CB 3.24Å; S142-A146 WeakPolarHBondContact O-CB 3.46Å; S142-A146 PolarHBondContact O-N 3Å; S142-Q203 PolarHBondContact OG-O 3.39Å |
| 143 | M | 96.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.1 | -41 | 174.4 | -68.1 | 178.8 | -172.2 | 0 | 0 | 112.1 | A56 I117 M120 A121 A139 G140 G147 V207 M209 | A56-M143 HydrophobicContact CB-CB 4.12Å; A56-M143 HydrophobicContact CB-SD 3.6Å; A56-M143 VanDerWaalsContact CB-SD 3.6Å; I117-M143 HydrophobicContact CG2-CB 3.76Å; I117-M143 HydrophobicContact CG2-CG 3.8Å; I117-M143 HydrophobicContact CG2-SD 4.39Å; M120-M143 HydrophobicContact CB-CE 3.6Å; M120-M143 VanDerWaalsContact O-CE 3.29Å; M120-M143 WeakPolarHBondContact O-CE 3.38Å; A121-M143 HydrophobicContact CB-SD 4.31Å; A139-M143 HydrophobicContact CB-CE 4.46Å; A139-M143 VanDerWaalsContact O-CG 3.25Å; A139-M143 WeakPolarHBondContact O-CG 3.1Å; A139-M143 PolarHBondContact O-N 3.13Å; G140-M143 PolarHBondContact O-N 3.19Å; M143-G147 PolarHBondContact O-N 3.18Å; M143-V207 HydrophobicContact CE-CG1 4.23Å; M143-M209 HydrophobicContact CE-CB 3.75Å; M143-M209 HydrophobicContact CE-SD 4.11Å; M143-M209 HydrophobicContact SD-SD 4.1Å |
| 144 | F | 97.8 | Very high | 95.9 | Very high | 42 Ų | 42 | 34.9 Ų | 34.9 | 18% | 0.184 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.4 | -49.8 | 174 | -178.9 | -114 | 0 | 0 | 0 | 112.5 | W55 L58 L62 G140 Y141 S142 A146 G147 L148 | W55-F144 HydrophobicContact CB-CB 4Å; W55-F144 HydrophobicContact CE3-CB 4.3Å; W55-F144 AromaticContact CE3-CD1 3.57Å; W55-F144 HydrophobicContact CE3-CD1 3.57Å; W55-F144 AromaticContact CE3-CD2 3.91Å; W55-F144 HydrophobicContact CE3-CD2 3.91Å; W55-F144 AromaticContact CE3-CE1 3.72Å; W55-F144 HydrophobicContact CE3-CE1 3.72Å; W55-F144 HydrophobicContact CE3-CE2 4.07Å; W55-F144 AromaticContact CE3-CG 3.65Å; W55-F144 HydrophobicContact CE3-CG 3.65Å; W55-F144 AromaticContact CE3-CZ 3.96Å; W55-F144 HydrophobicContact CE3-CZ 3.96Å; W55-F144 AromaticContact CZ3-CD1 3.87Å; W55-F144 HydrophobicContact CZ3-CD1 3.87Å; W55-F144 AromaticContact CZ3-CE1 3.54Å; W55-F144 HydrophobicContact CZ3-CE1 3.54Å; W55-F144 HydrophobicContact CZ3-CE2 4.26Å; W55-F144 HydrophobicContact CZ3-CG 4.34Å; W55-F144 AromaticContact CZ3-CZ 3.75Å; W55-F144 HydrophobicContact CZ3-CZ 3.75Å; W55-F144 WeakPolarHBondContact O-CB 3.42Å; L58-F144 HydrophobicContact CB-CD2 4.36Å; L58-F144 HydrophobicContact CB-CE2 4.4Å; L58-F144 HydrophobicContact CD2-CD2 4.32Å; L58-F144 HydrophobicContact CD2-CE2 3.62Å; L58-F144 HydrophobicContact CD2-CZ 4.41Å; L58-F144 HydrophobicContact CG-CD2 4.32Å; L58-F144 HydrophobicContact CG-CE2 3.88Å; L62-F144 HydrophobicContact CD1-CE2 4.16Å; G140-F144 WeakPolarHBondContact O-CB 3.35Å; G140-F144 PolarHBondContact O-N 3.18Å; Y141-F144 PolarHBondContact O-N 3Å; S142-F144 VanDerWaalsContact C-N 3.34Å; S142-F144 PolarHBondContact O-N 3.32Å; F144-A146 PolarHBondContact O-N 2.92Å; F144-G147 PolarHBondContact O-N 3.22Å; F144-L148 HydrophobicContact CD1-CD1 3.97Å; F144-L148 HydrophobicContact CE1-CD1 3.36Å; F144-L148 HydrophobicContact CE1-CG 4.25Å; F144-L148 HydrophobicContact CE2-CD1 4.05Å; F144-L148 HydrophobicContact CE2-CD2 4.45Å; F144-L148 HydrophobicContact CE2-CG 4.12Å; F144-L148 HydrophobicContact CZ-CD1 3.42Å; F144-L148 VanDerWaalsContact CZ-CD1 3.42Å; F144-L148 HydrophobicContact CZ-CD2 4.39Å; F144-L148 HydrophobicContact CZ-CG 4Å; F144-L148 PolarHBondContact O-N 3.4Å |
| 145 | G | 97.5 | Very high | 96.4 | Very high | 23 Ų | 23 | 31.9 Ų | 31.9 | 24% | 0.237 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.4 | -40.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113 | Y141 S142 L148 T149 Q203 | Y141-G145 PolarHBondContact O-N 3.47Å; S142-G145 PolarHBondContact O-N 3.06Å; G145-L148 PolarHBondContact O-N 2.91Å; G145-T149 WeakPolarHBondContact O-CB 3.42Å; G145-T149 PolarHBondContact O-N 3.4Å; G145-T149 PolarHBondContact O-OG1 3.16Å; G145-Q203 VanDerWaalsContact C-OE1 3.27Å; G145-Q203 PolarHBondContact O-OE1 2.95Å |
| 146 | A | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65 | -44.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | I117 S142 F144 T149 V150 A200 Q203 T204 | I117-A146 HydrophobicContact CD1-CB 4Å; S142-A146 VanDerWaalsContact O-CB 3.24Å; S142-A146 WeakPolarHBondContact O-CB 3.46Å; S142-A146 PolarHBondContact O-N 3Å; F144-A146 PolarHBondContact O-N 2.92Å; A146-T149 PolarHBondContact O-N 3.46Å; A146-V150 WeakPolarHBondContact O-CG1 3.43Å; A146-V150 PolarHBondContact O-N 3.45Å; A146-A200 HydrophobicContact CB-CB 4.12Å; A146-Q203 HydrophobicContact CB-CB 4.36Å; A146-Q203 VanDerWaalsContact N-OE1 3.08Å; A146-T204 HydrophobicContact CB-CG2 3.51Å |
| 147 | G | 97.7 | Very high | 97 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62 | -43.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | G59 M143 F144 V150 G151 | G59-G147 WeakPolarHBondContact O-CA 3.27Å; M143-G147 PolarHBondContact O-N 3.18Å; F144-G147 PolarHBondContact O-N 3.22Å; G147-V150 WeakPolarHBondContact O-CG1 3.41Å; G147-G151 PolarHBondContact O-N 3.12Å |
| 148 | L | 98.2 | Very high | 97.2 | Very high | 47 Ų | 47 | 30.8 Ų | 30.8 | 25% | 0.246 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.5 | -44.6 | 174.4 | -77 | -178.5 | 0 | 0 | 0 | 112.4 | L62 F144 G145 G151 F152 | L62-L148 HydrophobicContact CD1-CD2 3.57Å; L62-L148 HydrophobicContact CD1-CG 4.49Å; F144-L148 HydrophobicContact CD1-CD1 3.97Å; F144-L148 HydrophobicContact CE1-CD1 3.36Å; F144-L148 HydrophobicContact CE1-CG 4.25Å; F144-L148 HydrophobicContact CE2-CD1 4.05Å; F144-L148 HydrophobicContact CE2-CD2 4.45Å; F144-L148 HydrophobicContact CE2-CG 4.12Å; F144-L148 HydrophobicContact CZ-CD1 3.42Å; F144-L148 VanDerWaalsContact CZ-CD1 3.42Å; F144-L148 HydrophobicContact CZ-CD2 4.39Å; F144-L148 HydrophobicContact CZ-CG 4Å; F144-L148 PolarHBondContact O-N 3.4Å; G145-L148 PolarHBondContact O-N 2.91Å; L148-G151 PolarHBondContact O-N 3.06Å; L148-F152 HydrophobicContact CD2-CD2 4.28Å; L148-F152 HydrophobicContact CD2-CE2 3.91Å; L148-F152 WeakPolarHBondContact O-CB 3.24Å; L148-F152 WeakPolarHBondContact O-CD2 3.42Å; L148-F152 PolarHBondContact O-N 2.95Å |
| 149 | T | 97.9 | Very high | 97.4 | Very high | 46 Ų | 46 | 26.5 Ų | 26.5 | 28% | 0.282 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -61.3 | -51.3 | -178 | -63.4 | 0 | 0 | 0 | 0 | 110.7 | G145 A146 S153 V199 | G145-T149 WeakPolarHBondContact O-CB 3.42Å; G145-T149 PolarHBondContact O-N 3.4Å; G145-T149 PolarHBondContact O-OG1 3.16Å; A146-T149 PolarHBondContact O-N 3.46Å; T149-S153 WeakPolarHBondContact O-CB 3.32Å; T149-S153 PolarHBondContact O-N 2.91Å; T149-V199 HydrophobicContact CG2-CB 4.2Å; T149-V199 HydrophobicContact CG2-CG1 3.96Å |
| 150 | V | 97.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -67.2 | -42.9 | 179 | 70.8 | 0 | 0 | 0 | 0 | 111.3 | A63 M113 A146 G147 S153 N154 V197 A200 | A63-V150 HydrophobicContact CB-CG1 3.61Å; M113-V150 HydrophobicContact CB-CG1 4.18Å; M113-V150 HydrophobicContact CB-CG2 4.1Å; M113-V150 HydrophobicContact CG-CG2 3.94Å; A146-V150 WeakPolarHBondContact O-CG1 3.43Å; A146-V150 PolarHBondContact O-N 3.45Å; G147-V150 WeakPolarHBondContact O-CG1 3.41Å; V150-S153 PolarHBondContact O-N 3.49Å; V150-N154 WeakPolarHBondContact CG2-ND2 3.35Å; V150-N154 WeakPolarHBondContact O-CB 3.39Å; V150-N154 VanDerWaalsContact O-CG 3.28Å; V150-N154 PolarHBondContact O-N 3.48Å; V150-N154 PolarHBondContact O-ND2 3.4Å; V150-V197 HydrophobicContact CG2-CG2 4.07Å; V150-A200 HydrophobicContact CB-CB 4.17Å |
| 151 | G | 98 | Very high | 97.6 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.7 | -51.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | G147 L148 L155 | G147-G151 PolarHBondContact O-N 3.12Å; L148-G151 PolarHBondContact O-N 3.06Å; G151-L155 WeakPolarHBondContact O-CB 3.38Å; G151-L155 PolarHBondContact O-N 3.48Å |
| 152 | F | 98.3 | Very high | 97.7 | Very high | 91 Ų | 91 | 25.1 Ų | 25.1 | 40% | 0.399 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -71.2 | -39 | 178.4 | -81.2 | -65.5 | 0 | 0 | 0 | 113.1 | L66 L148 N154 L155 F156 | L66-F152 HydrophobicContact CD1-CD1 4.42Å; L66-F152 HydrophobicContact CD1-CD2 4.16Å; L66-F152 HydrophobicContact CD1-CE1 4.31Å; L66-F152 HydrophobicContact CD1-CE2 4.07Å; L66-F152 HydrophobicContact CD1-CG 4.34Å; L66-F152 HydrophobicContact CD1-CZ 4.13Å; L148-F152 HydrophobicContact CD2-CD2 4.28Å; L148-F152 HydrophobicContact CD2-CE2 3.91Å; L148-F152 WeakPolarHBondContact O-CB 3.24Å; L148-F152 WeakPolarHBondContact O-CD2 3.42Å; L148-F152 PolarHBondContact O-N 2.95Å; F152-N154 VanDerWaalsContact C-N 3.3Å; F152-N154 PolarHBondContact O-N 3.44Å; F152-L155 HydrophobicContact CD1-CD2 4.03Å; F152-L155 HydrophobicContact CE1-CD2 4.28Å; F152-L155 WeakPolarHBondContact O-CB 3.49Å; F152-L155 PolarHBondContact O-N 2.97Å; F152-F156 HydrophobicContact CB-CE2 4.15Å; F152-F156 HydrophobicContact CD1-CE2 4.21Å; F152-F156 HydrophobicContact CD1-CZ 4.05Å; F152-F156 WeakPolarHBondContact O-CD2 3.32Å; F152-F156 WeakPolarHBondContact O-CG 3.19Å; F152-F156 PolarHBondContact O-N 3.36Å |
| 153 | S | 98 | Very high | 97.7 | Very high | 24 Ų | 24 | 28.9 Ų | 28.9 | 17% | 0.168 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.8 | -44.3 | 176.7 | -169.2 | 0 | 0 | 0 | 0 | 111.1 | T149 V150 C157 I192 | T149-S153 WeakPolarHBondContact O-CB 3.32Å; T149-S153 PolarHBondContact O-N 2.91Å; V150-S153 PolarHBondContact O-N 3.49Å; S153-C157 WeakPolarHBondContact O-CB 3.28Å; S153-C157 PolarHBondContact O-N 3Å; S153-I192 PolarHBondContact OG-O 3.03Å |
| 154 | N | 97.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -69.9 | -38.9 | 176.7 | -76 | -11.3 | 0 | 0 | 0 | 112.3 | S67 V106 G110 V150 F152 F156 C157 G158 G193 | S67-N154 VanDerWaalsContact OG-CB 3.31Å; S67-N154 WeakPolarHBondContact OG-CB 3.47Å; S67-N154 PolarHBondContact OG-ND2 3.22Å; V106-N154 HydrophobicContact CG1-CB 3.44Å; V106-N154 VanDerWaalsContact CG1-CB 3.44Å; V106-N154 WeakPolarHBondContact CG1-O 3.4Å; V106-N154 PolarHBondContact O-ND2 3.42Å; G110-N154 PolarHBondContact N-ND2 3.39Å; V150-N154 WeakPolarHBondContact CG2-ND2 3.35Å; V150-N154 WeakPolarHBondContact O-CB 3.39Å; V150-N154 VanDerWaalsContact O-CG 3.28Å; V150-N154 PolarHBondContact O-N 3.48Å; V150-N154 PolarHBondContact O-ND2 3.4Å; F152-N154 VanDerWaalsContact C-N 3.3Å; F152-N154 PolarHBondContact O-N 3.44Å; N154-F156 PolarHBondContact O-N 3.02Å; N154-C157 PolarHBondContact O-N 3.12Å; N154-G158 PolarHBondContact O-N 3.14Å; N154-G193 WeakPolarHBondContact OD1-CA 3.48Å |
| 155 | L | 98.3 | Very high | 97.7 | Very high | 20 Ų | 20 | 28.4 Ų | 28.4 | 11% | 0.105 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -53.9 | -53.1 | 173.7 | 176.9 | 62.7 | 0 | 0 | 0 | 111.3 | V69 G151 F152 I159 | V69-L155 HydrophobicContact CB-CD1 4.29Å; V69-L155 HydrophobicContact CG1-CD1 3.85Å; G151-L155 WeakPolarHBondContact O-CB 3.38Å; G151-L155 PolarHBondContact O-N 3.48Å; F152-L155 HydrophobicContact CD1-CD2 4.03Å; F152-L155 HydrophobicContact CE1-CD2 4.28Å; F152-L155 WeakPolarHBondContact O-CB 3.49Å; F152-L155 PolarHBondContact O-N 2.97Å; L155-I159 HydrophobicContact CD1-CD1 4.02Å; L155-I159 HydrophobicContact CG-CD1 4.24Å; L155-I159 WeakPolarHBondContact O-CG1 3.38Å; L155-I159 PolarHBondContact O-N 3.14Å |
| 156 | F | 97.9 | Very high | 97.7 | Very high | 126 Ų | 126 | 28.2 Ų | 28.2 | 55% | 0.553 | 15% | 0.149 | S | C | * | . | H | α-helix | trans | -71 | -36.6 | -178.6 | -59.4 | -41.9 | 0 | 0 | 0 | 112.6 | F152 N154 I159 C160 | F152-F156 HydrophobicContact CB-CE2 4.15Å; F152-F156 HydrophobicContact CD1-CE2 4.21Å; F152-F156 HydrophobicContact CD1-CZ 4.05Å; F152-F156 WeakPolarHBondContact O-CD2 3.32Å; F152-F156 WeakPolarHBondContact O-CG 3.19Å; F152-F156 PolarHBondContact O-N 3.36Å; N154-F156 PolarHBondContact O-N 3.02Å; F156-I159 PolarHBondContact O-N 3.45Å; F156-C160 VanDerWaalsContact O-CB 3.24Å; F156-C160 WeakPolarHBondContact O-CB 3.13Å; F156-C160 PolarHBondContact O-N 3.1Å |
| 157 | C | 97.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -58.7 | -50.6 | 173.5 | 179.7 | 0 | 0 | 0 | 0 | 111.6 | V106 S153 N154 I159 C160 V161 G189 I192 G193 | V106-C157 HydrophobicContact CG2-CB 4.43Å; S153-C157 WeakPolarHBondContact O-CB 3.28Å; S153-C157 PolarHBondContact O-N 3Å; N154-C157 PolarHBondContact O-N 3.12Å; C157-I159 PolarHBondContact O-N 3.31Å; C157-C160 WeakPolarHBondContact O-CB 3.34Å; C157-C160 PolarHBondContact O-N 3.4Å; C157-V161 WeakPolarHBondContact O-CG2 3.4Å; C157-V161 PolarHBondContact O-N 3.32Å; C157-G189 PolarHBondContact SG-O 2.77Å; C157-G189 VanDerWaalsContact SG-O 3.34Å; C157-I192 HydrophobicContact CB-CB 4.26Å; C157-I192 HydrophobicContact CB-CG2 4.42Å; C157-G193 PolarHBondContact SG-N 2.96Å |
| 158 | G | 97.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61 | -41.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | G74 N154 G162 | G74-G158 WeakPolarHBondContact CA-O 3.41Å; N154-G158 PolarHBondContact O-N 3.14Å; G158-G162 PolarHBondContact O-N 2.84Å |
| 159 | I | 97.8 | Very high | 97.3 | Very high | 39 Ų | 39 | 27.8 Ų | 27.8 | 20% | 0.2 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.2 | -45.7 | 174.9 | -64.9 | 166.7 | 0 | 0 | 0 | 110.8 | W73 L155 F156 C157 G162 I163 | W73-I159 HydrophobicContact CB-CG1 4.17Å; W73-I159 HydrophobicContact CD2-CD1 4.36Å; W73-I159 HydrophobicContact CD2-CG1 4.34Å; W73-I159 HydrophobicContact CE3-CD1 4.34Å; W73-I159 HydrophobicContact CG-CG1 4.09Å; L155-I159 HydrophobicContact CD1-CD1 4.02Å; L155-I159 HydrophobicContact CG-CD1 4.24Å; L155-I159 WeakPolarHBondContact O-CG1 3.38Å; L155-I159 PolarHBondContact O-N 3.14Å; F156-I159 PolarHBondContact O-N 3.45Å; C157-I159 PolarHBondContact O-N 3.31Å; I159-G162 PolarHBondContact O-N 3.04Å; I159-I163 HydrophobicContact CG2-CD1 3.82Å; I159-I163 HydrophobicContact CG2-CG1 4.47Å; I159-I163 VanDerWaalsContact O-CG1 3.31Å; I159-I163 WeakPolarHBondContact O-CG1 3.39Å; I159-I163 PolarHBondContact O-N 3.37Å |
| 160 | C | 97.6 | Very high | 97.2 | Very high | 47 Ų | 47 | 29.7 Ų | 29.7 | 32% | 0.318 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -57.8 | -53.7 | 178.5 | 179.2 | 0 | 0 | 0 | 0 | 111.5 | F156 C157 G162 I163 V164 | F156-C160 VanDerWaalsContact O-CB 3.24Å; F156-C160 WeakPolarHBondContact O-CB 3.13Å; F156-C160 PolarHBondContact O-N 3.1Å; C157-C160 WeakPolarHBondContact O-CB 3.34Å; C157-C160 PolarHBondContact O-N 3.4Å; C160-G162 VanDerWaalsContact C-N 3.29Å; C160-G162 PolarHBondContact O-N 3.38Å; C160-I163 PolarHBondContact O-N 2.66Å; C160-V164 WeakPolarHBondContact O-CG2 3.48Å; C160-V164 PolarHBondContact O-N 3.41Å; C160-V164 VanDerWaalsContact O-N 3.08Å |
| 161 | V | 97.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.8 | -38.9 | 179 | 176.4 | 0 | 0 | 0 | 0 | 110.9 | F102 C157 I163 V164 G165 | F102-V161 HydrophobicContact CB-CG1 3.81Å; C157-V161 WeakPolarHBondContact O-CG2 3.4Å; C157-V161 PolarHBondContact O-N 3.32Å; V161-I163 PolarHBondContact O-N 3.15Å; V161-V164 PolarHBondContact O-N 2.91Å; V161-G165 PolarHBondContact O-N 2.86Å |
| 162 | G | 97.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.6 | -39.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | I77 T78 G158 I159 C160 S166 | I77-G162 WeakPolarHBondContact CG2-O 3.31Å; T78-G162 WeakPolarHBondContact OG1-CA 3.48Å; T78-G162 PolarHBondContact OG1-O 3.35Å; G158-G162 PolarHBondContact O-N 2.84Å; I159-G162 PolarHBondContact O-N 3.04Å; C160-G162 VanDerWaalsContact C-N 3.29Å; C160-G162 PolarHBondContact O-N 3.38Å; G162-S166 WeakPolarHBondContact O-CB 3.36Å; G162-S166 PolarHBondContact O-N 2.79Å |
| 163 | I | 98.1 | Very high | 96.7 | Very high | 101 Ų | 101 | 27.6 Ų | 27.6 | 52% | 0.518 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -66.2 | -45.9 | 176.3 | -68.2 | 167.1 | 0 | 0 | 0 | 110.4 | I77 I159 C160 V161 S166 G167 | I77-I163 HydrophobicContact CD1-CG1 4.09Å; I159-I163 HydrophobicContact CG2-CD1 3.82Å; I159-I163 HydrophobicContact CG2-CG1 4.47Å; I159-I163 VanDerWaalsContact O-CG1 3.31Å; I159-I163 WeakPolarHBondContact O-CG1 3.39Å; I159-I163 PolarHBondContact O-N 3.37Å; C160-I163 PolarHBondContact O-N 2.66Å; V161-I163 PolarHBondContact O-N 3.15Å; I163-S166 PolarHBondContact O-N 3.25Å; I163-G167 PolarHBondContact O-N 3.26Å; I163-G167 VanDerWaalsContact O-N 3.16Å |
| 164 | V | 97.4 | Very high | 96.6 | Very high | 33 Ų | 33 | 34.5 Ų | 34.5 | 20% | 0.2 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.7 | -43.5 | 177.8 | 179.4 | 0 | 0 | 0 | 0 | 110.8 | C160 V161 S166 G167 A168 I182 V185 E186 | C160-V164 WeakPolarHBondContact O-CG2 3.48Å; C160-V164 PolarHBondContact O-N 3.41Å; C160-V164 VanDerWaalsContact O-N 3.08Å; V161-V164 PolarHBondContact O-N 2.91Å; V164-S166 PolarHBondContact O-N 3.45Å; V164-G167 CarbonylContact O-C 3.52Å; V164-G167 WeakPolarHBondContact O-CA 3.24Å; V164-G167 PolarHBondContact O-N 3Å; V164-G167 VanDerWaalsContact O-N 3.09Å; V164-A168 PolarHBondContact O-N 3.46Å; V164-I182 HydrophobicContact CG1-CG2 4.14Å; V164-V185 HydrophobicContact CG1-CB 4.04Å; V164-V185 HydrophobicContact CG1-CG1 3.95Å; V164-V185 HydrophobicContact CG2-CG1 4.21Å; V164-E186 HydrophobicContact CB-CG 4.14Å; V164-E186 HydrophobicContact CG1-CG 3.53Å |
| 165 | G | 96.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.5 | -39.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | V161 A168 A169 E186 | V161-G165 PolarHBondContact O-N 2.86Å; G165-A168 PolarHBondContact O-N 3.47Å; G165-A169 WeakPolarHBondContact O-CB 3.22Å; G165-A169 PolarHBondContact O-N 3.41Å; G165-E186 WeakPolarHBondContact CA-OE1 3.49Å |
| 166 | S | 97 | Very high | 96.1 | Very high | 19 Ų | 19 | 38.7 Ų | 38.7 | 13% | 0.133 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.6 | -45.7 | 170.1 | 166.2 | 0 | 0 | 0 | 0 | 111.9 | S81 G162 I163 V164 A168 A169 L170 | S81-S166 WeakPolarHBondContact CB-OG 3.43Å; S81-S166 PolarHBondContact OG-OG 3.5Å; G162-S166 WeakPolarHBondContact O-CB 3.36Å; G162-S166 PolarHBondContact O-N 2.79Å; I163-S166 PolarHBondContact O-N 3.25Å; V164-S166 PolarHBondContact O-N 3.45Å; S166-A168 PolarHBondContact O-N 3.34Å; S166-A169 PolarHBondContact O-N 3.29Å; S166-L170 WeakPolarHBondContact O-CG 3.32Å; S166-L170 PolarHBondContact O-N 3Å; S166-L170 VanDerWaalsContact O-N 3.13Å |
| 167 | G | 95.8 | Very high | 95.9 | Very high | 38 Ų | 38 | 36 Ų | 36 | 39% | 0.392 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.1 | -42.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | I163 V164 L170 A171 | I163-G167 PolarHBondContact O-N 3.26Å; I163-G167 VanDerWaalsContact O-N 3.16Å; V164-G167 CarbonylContact O-C 3.52Å; V164-G167 WeakPolarHBondContact O-CA 3.24Å; V164-G167 PolarHBondContact O-N 3Å; V164-G167 VanDerWaalsContact O-N 3.09Å; G167-L170 PolarHBondContact O-N 3.45Å; G167-A171 WeakPolarHBondContact O-CB 3.35Å; G167-A171 PolarHBondContact O-N 3.26Å |
| 168 | A | 95.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.5 | -42 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | V164 G165 S166 A171 D172 F179 I182 E186 | V164-A168 PolarHBondContact O-N 3.46Å; G165-A168 PolarHBondContact O-N 3.47Å; S166-A168 PolarHBondContact O-N 3.34Å; A168-A171 PolarHBondContact O-N 3.46Å; A168-D172 WeakPolarHBondContact O-CB 3.23Å; A168-D172 PolarHBondContact O-N 3.49Å; A168-F179 HydrophobicContact CB-CD2 4.47Å; A168-I182 HydrophobicContact CB-CB 4.19Å; A168-I182 HydrophobicContact CB-CG2 3.63Å; A168-E186 VanDerWaalsContact CB-OE1 3.29Å; A168-E186 WeakPolarHBondContact CB-OE1 3.44Å |
| 169 | A | 95.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.7 | -46.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | I82 N96 G165 S166 D172 A173 | I82-A169 HydrophobicContact CG1-CB 3.72Å; N96-A169 VanDerWaalsContact ND2-CA 3.27Å; N96-A169 WeakPolarHBondContact ND2-CA 3.49Å; N96-A169 PolarHBondContact ND2-N 3.07Å; G165-A169 WeakPolarHBondContact O-CB 3.22Å; G165-A169 PolarHBondContact O-N 3.41Å; S166-A169 PolarHBondContact O-N 3.29Å; A169-D172 PolarHBondContact O-N 3.43Å; A169-A173 PolarHBondContact O-N 3.33Å; A169-A173 VanDerWaalsContact O-N 3.11Å |
| 170 | L | 95.8 | Very high | 95.1 | Very high | 86 Ų | 86 | 42.1 Ų | 42.1 | 45% | 0.45 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -68 | -36.7 | 178.9 | -65.5 | 175.2 | 0 | 0 | 0 | 112.1 | S166 G167 A173 | S166-L170 WeakPolarHBondContact O-CG 3.32Å; S166-L170 PolarHBondContact O-N 3Å; S166-L170 VanDerWaalsContact O-N 3.13Å; G167-L170 PolarHBondContact O-N 3.45Å; L170-A173 WeakPolarHBondContact O-CB 3.22Å |
| 171 | A | 95.1 | Very high | 94.9 | Very high | 24 Ų | 24 | 46.8 Ų | 46.8 | 20% | 0.198 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -69 | -41.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | G167 A168 A173 Q174 N175 L178 I182 | G167-A171 WeakPolarHBondContact O-CB 3.35Å; G167-A171 PolarHBondContact O-N 3.26Å; A168-A171 PolarHBondContact O-N 3.46Å; A171-A173 VanDerWaalsContact C-N 3.27Å; A171-A173 PolarHBondContact O-N 3.43Å; A171-Q174 PolarHBondContact O-N 3.04Å; A171-Q174 VanDerWaalsContact O-N 3.12Å; A171-N175 PolarHBondContact O-N 3.32Å; A171-L178 HydrophobicContact CB-CD1 4.43Å; A171-I182 HydrophobicContact CB-CD1 3.57Å |
| 172 | D | 94.6 | Very high | 94.8 | Very high | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.011 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.9 | -31.3 | 177.7 | -165.9 | 64 | 0 | 0 | 0 | 112 | R91 I92 K95 N96 A168 A169 Q174 N175 A176 F179 | R91-D172 PolarHBondContact NH2-O 3.02Å; I92-D172 HydrophobicContact CG2-CB 4.3Å; I92-D172 WeakPolarHBondContact CG2-OD2 3.36Å; K95-D172 IonicContact NZ-OD1 2.78Å; K95-D172 PolarHBondContact NZ-OD1 3.05Å; K95-D172 IonicContact NZ-OD2 3.84Å; N96-D172 PolarHBondContact OD1-OD2 3.18Å; A168-D172 WeakPolarHBondContact O-CB 3.23Å; A168-D172 PolarHBondContact O-N 3.49Å; A169-D172 PolarHBondContact O-N 3.43Å; D172-Q174 PolarHBondContact O-N 3.46Å; D172-N175 CarbonylContact O-C 3.5Å; D172-A176 VanDerWaalsContact OD1-CA 3.24Å; D172-A176 WeakPolarHBondContact OD1-CA 3.35Å; D172-F179 HydrophobicContact CB-CB 4.15Å; D172-F179 VanDerWaalsContact OD1-CB 3.27Å; D172-F179 WeakPolarHBondContact OD1-CB 3.33Å |
| 173 | A | 94.1 | Very high | 94.6 | Very high | 21 Ų | 21 | 50.5 Ų | 50.5 | 17% | 0.174 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.9 | -34.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A89 I92 A169 L170 A171 | A89-A173 HydrophobicContact CB-CB 4.24Å; I92-A173 HydrophobicContact CD1-CB 4.09Å; I92-A173 HydrophobicContact CG2-CB 4.32Å; A169-A173 PolarHBondContact O-N 3.33Å; A169-A173 VanDerWaalsContact O-N 3.11Å; L170-A173 WeakPolarHBondContact O-CB 3.22Å; A171-A173 VanDerWaalsContact C-N 3.27Å; A171-A173 PolarHBondContact O-N 3.43Å |
| 174 | Q | 95.1 | Very high | 94.5 | Very high | 169 Ų | 169 | 50.1 Ų | 50.1 | 79% | 0.79 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -84.2 | -47.6 | 176.3 | -58.2 | -58.3 | -34.2 | 0 | 0 | 112.4 | A171 D172 | A171-Q174 PolarHBondContact O-N 3.04Å; A171-Q174 VanDerWaalsContact O-N 3.12Å; D172-Q174 PolarHBondContact O-N 3.46Å |
| 175 | N | 94.3 | Very high | 94.4 | Very high | 76 Ų | 76 | 52.3 Ų | 52.3 | 41% | 0.406 | 30% | 0.297 | S | S | . | . | trans | -144 | 118.9 | -178.2 | -175 | -19.5 | 0 | 0 | 0 | 111.8 | A171 D172 S177 L178 | A171-N175 PolarHBondContact O-N 3.32Å; D172-N175 CarbonylContact O-C 3.5Å; N175-S177 PolarHBondContact ND2-OG 3.01Å; N175-S177 PolarHBondContact O-N 3.5Å; N175-S177 WeakPolarHBondContact OD1-CB 3.46Å; N175-S177 PolarHBondContact OD1-N 2.98Å; N175-S177 PolarHBondContact OD1-OG 3.41Å; N175-L178 HydrophobicContact CB-CD1 3.91Å; N175-L178 HydrophobicContact CB-CG 4.16Å; N175-L178 PolarHBondContact O-N 3.49Å | ||
| 176 | A | 91.6 | Very high | 94.4 | Very high | 31 Ų | 31 | 52.3 Ų | 52.3 | 26% | 0.256 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -23.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | R91 K95 D172 L178 | R91-A176 VanDerWaalsContact NH2-CB 3.33Å; K95-A176 PolarHBondContact NZ-O 2.93Å; D172-A176 VanDerWaalsContact OD1-CA 3.24Å; D172-A176 WeakPolarHBondContact OD1-CA 3.35Å; A176-L178 PolarHBondContact O-N 3.3Å |
| 177 | S | 93.4 | Very high | 94.3 | Very high | 69 Ų | 69 | 55.4 Ų | 55.4 | 48% | 0.483 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -12.6 | -176.5 | 65.3 | 0 | 0 | 0 | 0 | 113 | N175 | N175-S177 PolarHBondContact ND2-OG 3.01Å; N175-S177 PolarHBondContact O-N 3.5Å; N175-S177 WeakPolarHBondContact OD1-CB 3.46Å; N175-S177 PolarHBondContact OD1-N 2.98Å; N175-S177 PolarHBondContact OD1-OG 3.41Å |
| 178 | L | 92.6 | Very high | 94.3 | Very high | 63 Ų | 63 | 60.8 Ų | 60.8 | 33% | 0.33 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -84.1 | -29.2 | -176 | -65.5 | 175.4 | 0 | 0 | 0 | 113.3 | A171 N175 A176 V180 K181 I182 | A171-L178 HydrophobicContact CB-CD1 4.43Å; N175-L178 HydrophobicContact CB-CD1 3.91Å; N175-L178 HydrophobicContact CB-CG 4.16Å; N175-L178 PolarHBondContact O-N 3.49Å; A176-L178 PolarHBondContact O-N 3.3Å; L178-V180 PolarHBondContact O-N 2.91Å; L178-K181 WeakPolarHBondContact O-CB 3.14Å; L178-K181 PolarHBondContact O-N 3.11Å; L178-I182 HydrophobicContact CB-CD1 4.35Å; L178-I182 PolarHBondContact O-N 3.38Å; L178-I182 VanDerWaalsContact O-N 3.12Å |
| 179 | F | 90.7 | Very high | 94.2 | Very high | 10 Ų | 10 | 61.1 Ų | 61.1 | 4% | 0.044 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -53.7 | -49.2 | -174.5 | 176.2 | -100.4 | 0 | 0 | 0 | 113.6 | K95 N96 V98 A168 D172 K181 I182 L183 | K95-F179 HydrophobicContact CD-CD1 4.15Å; K95-F179 HydrophobicContact CD-CG 4.34Å; K95-F179 HydrophobicContact CG-CD1 4Å; K95-F179 HydrophobicContact CG-CE1 3.94Å; K95-F179 HydrophobicContact CG-CG 4.44Å; K95-F179 HydrophobicContact CG-CZ 4.38Å; K95-F179 WeakPolarHBondContact O-CZ 3.37Å; N96-F179 HydrophobicContact CB-CE2 4.36Å; N96-F179 VanDerWaalsContact ND2-CD2 3.33Å; N96-F179 WeakPolarHBondContact ND2-CD2 3.44Å; N96-F179 VanDerWaalsContact ND2-CE2 3.29Å; N96-F179 WeakPolarHBondContact ND2-CE2 3.28Å; V98-F179 HydrophobicContact CB-CZ 4.45Å; A168-F179 HydrophobicContact CB-CD2 4.47Å; D172-F179 HydrophobicContact CB-CB 4.15Å; D172-F179 VanDerWaalsContact OD1-CB 3.27Å; D172-F179 WeakPolarHBondContact OD1-CB 3.33Å; F179-K181 PolarHBondContact O-N 2.93Å; F179-I182 PolarHBondContact O-N 3.47Å; F179-I182 VanDerWaalsContact O-N 3.14Å; F179-L183 HydrophobicContact CE1-CD1 4.43Å; F179-L183 HydrophobicContact CE1-CD2 4.35Å; F179-L183 HydrophobicContact CZ-CD1 4.1Å; F179-L183 WeakPolarHBondContact O-CB 3.36Å; F179-L183 PolarHBondContact O-N 3.29Å |
| 180 | V | 92.4 | Very high | 94.2 | Very high | 96 Ų | 96 | 61.9 Ų | 61.9 | 58% | 0.582 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -62.9 | -30.9 | -177.4 | -178.2 | 0 | 0 | 0 | 0 | 111.6 | L178 | L178-V180 PolarHBondContact O-N 2.91Å |
| 181 | K | 94.3 | Very high | 94.2 | Very high | 144 Ų | 144 | 59 Ų | 59 | 63% | 0.626 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -73.1 | -39.8 | 177.7 | -59.3 | -178.8 | -178.1 | -179.6 | 0 | 111.5 | L178 F179 | L178-K181 WeakPolarHBondContact O-CB 3.14Å; L178-K181 PolarHBondContact O-N 3.11Å; F179-K181 PolarHBondContact O-N 2.93Å |
| 182 | I | 94.2 | Very high | 94.2 | Very high | 44 Ų | 44 | 61.3 Ų | 61.3 | 23% | 0.226 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -74.8 | -31.4 | 179.4 | -58.3 | 169.7 | 0 | 0 | 0 | 110.9 | V164 A168 A171 L178 F179 I184 V185 E186 | V164-I182 HydrophobicContact CG1-CG2 4.14Å; A168-I182 HydrophobicContact CB-CB 4.19Å; A168-I182 HydrophobicContact CB-CG2 3.63Å; A171-I182 HydrophobicContact CB-CD1 3.57Å; L178-I182 HydrophobicContact CB-CD1 4.35Å; L178-I182 PolarHBondContact O-N 3.38Å; L178-I182 VanDerWaalsContact O-N 3.12Å; F179-I182 PolarHBondContact O-N 3.47Å; F179-I182 VanDerWaalsContact O-N 3.14Å; I182-I184 PolarHBondContact O-N 3.32Å; I182-I184 VanDerWaalsContact O-N 3.12Å; I182-V185 WeakPolarHBondContact O-CA 3.43Å; I182-V185 VanDerWaalsContact O-CB 3.31Å; I182-V185 WeakPolarHBondContact O-CB 3.32Å; I182-V185 PolarHBondContact O-N 2.95Å; I182-E186 PolarHBondContact O-N 3.46Å |
| 183 | L | 93.5 | Very high | 94.2 | Very high | 34 Ų | 34 | 61.2 Ų | 61.2 | 18% | 0.178 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -54.8 | -32.5 | 176.9 | -169.5 | 68.6 | 0 | 0 | 0 | 113 | V98 F102 F179 V185 E186 I187 | V98-L183 HydrophobicContact CG1-CD1 4.02Å; F102-L183 HydrophobicContact CE2-CD1 3.84Å; F179-L183 HydrophobicContact CE1-CD1 4.43Å; F179-L183 HydrophobicContact CE1-CD2 4.35Å; F179-L183 HydrophobicContact CZ-CD1 4.1Å; F179-L183 WeakPolarHBondContact O-CB 3.36Å; F179-L183 PolarHBondContact O-N 3.29Å; L183-V185 PolarHBondContact O-N 3.23Å; L183-E186 WeakPolarHBondContact O-CB 3.5Å; L183-E186 PolarHBondContact O-N 3.32Å; L183-E186 VanDerWaalsContact O-N 3.15Å; L183-I187 WeakPolarHBondContact O-CG1 3.44Å; L183-I187 PolarHBondContact O-N 3.03Å |
| 184 | I | 95.4 | Very high | 94.3 | Very high | 93 Ų | 93 | 63.7 Ų | 63.7 | 48% | 0.477 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60 | -36.9 | 176.3 | -60.1 | 173 | 0 | 0 | 0 | 110.9 | I182 I187 F188 | I182-I184 PolarHBondContact O-N 3.32Å; I182-I184 VanDerWaalsContact O-N 3.12Å; I184-I187 PolarHBondContact O-N 2.98Å; I184-F188 HydrophobicContact CG2-CD2 4.01Å; I184-F188 HydrophobicContact CG2-CE2 3.61Å; I184-F188 WeakPolarHBondContact O-CD2 3.38Å; I184-F188 PolarHBondContact O-N 2.82Å |
| 185 | V | 96 | Very high | 94.4 | Very high | 79 Ų | 79 | 62 Ų | 62 | 48% | 0.479 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -69.7 | -38.1 | 177.6 | -173 | 0 | 0 | 0 | 0 | 110.8 | V164 I182 L183 I187 F188 G189 | V164-V185 HydrophobicContact CG1-CB 4.04Å; V164-V185 HydrophobicContact CG1-CG1 3.95Å; V164-V185 HydrophobicContact CG2-CG1 4.21Å; I182-V185 WeakPolarHBondContact O-CA 3.43Å; I182-V185 VanDerWaalsContact O-CB 3.31Å; I182-V185 WeakPolarHBondContact O-CB 3.32Å; I182-V185 PolarHBondContact O-N 2.95Å; L183-V185 PolarHBondContact O-N 3.23Å; V185-I187 VanDerWaalsContact C-N 3.3Å; V185-I187 PolarHBondContact O-N 3.27Å; V185-F188 PolarHBondContact O-N 2.98Å; V185-G189 PolarHBondContact O-N 2.76Å |
| 186 | E | 94.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.6 | -39.7 | 174.2 | -66.3 | -179.8 | -155.3 | 0 | 0 | 111.6 | S99 F102 V164 G165 A168 I182 L183 G189 S190 | S99-E186 WeakPolarHBondContact CA-OE2 3.25Å; S99-E186 VanDerWaalsContact CB-OE2 3.3Å; S99-E186 WeakPolarHBondContact CB-OE2 3.16Å; S99-E186 VanDerWaalsContact OG-CD 3.24Å; S99-E186 PolarHBondContact OG-OE1 3.31Å; S99-E186 PolarHBondContact OG-OE2 3.4Å; F102-E186 HydrophobicContact CD2-CB 4.31Å; V164-E186 HydrophobicContact CB-CG 4.14Å; V164-E186 HydrophobicContact CG1-CG 3.53Å; G165-E186 WeakPolarHBondContact CA-OE1 3.49Å; A168-E186 VanDerWaalsContact CB-OE1 3.29Å; A168-E186 WeakPolarHBondContact CB-OE1 3.44Å; I182-E186 PolarHBondContact O-N 3.46Å; L183-E186 WeakPolarHBondContact O-CB 3.5Å; L183-E186 PolarHBondContact O-N 3.32Å; L183-E186 VanDerWaalsContact O-N 3.15Å; E186-G189 PolarHBondContact O-N 3.29Å; E186-S190 PolarHBondContact O-N 3.38Å |
| 187 | I | 95.8 | Very high | 94.7 | Very high | 85 Ų | 85 | 58.1 Ų | 58.1 | 44% | 0.436 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.2 | -46.9 | 176.9 | -65.5 | 167.8 | 0 | 0 | 0 | 110.5 | F102 L183 I184 V185 G189 S190 A191 | F102-I187 HydrophobicContact CE2-CG1 4.49Å; F102-I187 HydrophobicContact CZ-CG1 4.15Å; L183-I187 WeakPolarHBondContact O-CG1 3.44Å; L183-I187 PolarHBondContact O-N 3.03Å; I184-I187 PolarHBondContact O-N 2.98Å; V185-I187 VanDerWaalsContact C-N 3.3Å; V185-I187 PolarHBondContact O-N 3.27Å; I187-G189 VanDerWaalsContact C-N 3.31Å; I187-G189 PolarHBondContact O-N 2.96Å; I187-S190 PolarHBondContact O-N 3.19Å; I187-S190 PolarHBondContact O-OG 3.03Å; I187-A191 PolarHBondContact O-N 3.45Å; I187-A191 VanDerWaalsContact O-N 3.16Å |
| 188 | F | 95.7 | Very high | 94.9 | Very high | 150 Ų | 150 | 59.2 Ų | 59.2 | 66% | 0.658 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -63.6 | -36.1 | 175.7 | -73.5 | -59.9 | 0 | 0 | 0 | 112.8 | I184 V185 A191 | I184-F188 HydrophobicContact CG2-CD2 4.01Å; I184-F188 HydrophobicContact CG2-CE2 3.61Å; I184-F188 WeakPolarHBondContact O-CD2 3.38Å; I184-F188 PolarHBondContact O-N 2.82Å; V185-F188 PolarHBondContact O-N 2.98Å; F188-A191 WeakPolarHBondContact O-CB 3.42Å; F188-A191 PolarHBondContact O-N 2.86Å |
| 189 | G | 94.4 | Very high | 95.2 | Very high | 7 Ų | 7 | 59.3 Ų | 59.3 | 7% | 0.072 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.4 | -46.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | C157 V185 E186 I187 A191 I192 | C157-G189 PolarHBondContact SG-O 2.77Å; C157-G189 VanDerWaalsContact SG-O 3.34Å; V185-G189 PolarHBondContact O-N 2.76Å; E186-G189 PolarHBondContact O-N 3.29Å; I187-G189 VanDerWaalsContact C-N 3.31Å; I187-G189 PolarHBondContact O-N 2.96Å; G189-A191 VanDerWaalsContact C-N 3.26Å; G189-A191 PolarHBondContact O-N 2.96Å; G189-I192 WeakPolarHBondContact O-CB 3.4Å; G189-I192 WeakPolarHBondContact O-CG1 3.35Å; G189-I192 PolarHBondContact O-N 3.47Å |
| 190 | S | 94.1 | Very high | 95.5 | Very high | 16 Ų | 16 | 58.8 Ų | 58.8 | 11% | 0.112 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.4 | -26.1 | -178.7 | 74.1 | 0 | 0 | 0 | 0 | 113.8 | E186 I187 I192 G193 | E186-S190 PolarHBondContact O-N 3.38Å; I187-S190 PolarHBondContact O-N 3.19Å; I187-S190 PolarHBondContact O-OG 3.03Å; S190-I192 PolarHBondContact O-N 2.59Å; S190-G193 PolarHBondContact O-N 3.29Å |
| 191 | A | 95.6 | Very high | 95.7 | Very high | 27 Ų | 27 | 58.1 Ų | 58.1 | 22% | 0.223 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62 | -26.1 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | I187 F188 G189 G193 L194 F195 | I187-A191 PolarHBondContact O-N 3.45Å; I187-A191 VanDerWaalsContact O-N 3.16Å; F188-A191 WeakPolarHBondContact O-CB 3.42Å; F188-A191 PolarHBondContact O-N 2.86Å; G189-A191 VanDerWaalsContact C-N 3.26Å; G189-A191 PolarHBondContact O-N 2.96Å; A191-G193 VanDerWaalsContact C-N 3.3Å; A191-G193 PolarHBondContact O-N 3.01Å; A191-L194 PolarHBondContact O-N 2.98Å; A191-F195 WeakPolarHBondContact O-CG 3.48Å; A191-F195 PolarHBondContact O-N 3.38Å |
| 192 | I | 95.8 | Very high | 95.8 | Very high | 71 Ų | 71 | 56.7 Ų | 56.7 | 36% | 0.364 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.2 | -41.9 | 176.9 | -58.1 | 170.4 | 0 | 0 | 0 | 110.5 | S153 C157 G189 S190 L194 F195 G196 | S153-I192 PolarHBondContact OG-O 3.03Å; C157-I192 HydrophobicContact CB-CB 4.26Å; C157-I192 HydrophobicContact CB-CG2 4.42Å; G189-I192 WeakPolarHBondContact O-CB 3.4Å; G189-I192 WeakPolarHBondContact O-CG1 3.35Å; G189-I192 PolarHBondContact O-N 3.47Å; S190-I192 PolarHBondContact O-N 2.59Å; I192-L194 PolarHBondContact O-N 3.47Å; I192-F195 PolarHBondContact O-N 3.05Å; I192-G196 PolarHBondContact O-N 3.23Å |
| 193 | G | 94.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.5 | -43.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | N154 C157 S190 A191 F195 G196 V197 | N154-G193 WeakPolarHBondContact OD1-CA 3.48Å; C157-G193 PolarHBondContact SG-N 2.96Å; S190-G193 PolarHBondContact O-N 3.29Å; A191-G193 VanDerWaalsContact C-N 3.3Å; A191-G193 PolarHBondContact O-N 3.01Å; G193-F195 PolarHBondContact O-N 3.32Å; G193-G196 PolarHBondContact O-N 3.39Å; G193-V197 PolarHBondContact O-N 2.97Å; G193-V197 VanDerWaalsContact O-N 3.13Å |
| 194 | L | 95.6 | Very high | 95.9 | Very high | 73 Ų | 73 | 56.6 Ų | 56.6 | 38% | 0.382 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.1 | -38.8 | 177.5 | -69.9 | 174 | 0 | 0 | 0 | 112.7 | Y109 A191 I192 G196 V197 I198 | Y109-L194 HydrophobicContact CD1-CD2 4.48Å; Y109-L194 HydrophobicContact CE1-CD2 3.87Å; Y109-L194 HydrophobicContact CE2-CD2 3.92Å; Y109-L194 HydrophobicContact CE2-CG 4.12Å; A191-L194 PolarHBondContact O-N 2.98Å; I192-L194 PolarHBondContact O-N 3.47Å; L194-G196 VanDerWaalsContact C-N 3.32Å; L194-G196 PolarHBondContact O-N 3.23Å; L194-V197 PolarHBondContact O-N 3.33Å; L194-I198 WeakPolarHBondContact O-CG1 3.29Å; L194-I198 PolarHBondContact O-N 3.37Å |
| 195 | F | 97.1 | Very high | 95.8 | Very high | 134 Ų | 134 | 55.6 Ų | 55.6 | 59% | 0.588 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -61.8 | -40.8 | 174.5 | -65.6 | -25.7 | 0 | 0 | 0 | 112.2 | A191 I192 G193 V197 I198 V199 | A191-F195 WeakPolarHBondContact O-CG 3.48Å; A191-F195 PolarHBondContact O-N 3.38Å; I192-F195 PolarHBondContact O-N 3.05Å; G193-F195 PolarHBondContact O-N 3.32Å; F195-V197 VanDerWaalsContact C-N 3.34Å; F195-V197 PolarHBondContact O-N 3.21Å; F195-I198 HydrophobicContact CD1-CD1 4.42Å; F195-I198 PolarHBondContact O-N 3.44Å; F195-V199 WeakPolarHBondContact O-CG2 3.46Å; F195-V199 PolarHBondContact O-N 3.45Å; F195-V199 VanDerWaalsContact O-N 3.07Å |
| 196 | G | 96.7 | Very high | 95.4 | Very high | 4 Ų | 4 | 61.4 Ų | 61.4 | 4% | 0.041 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.9 | -43.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | I192 G193 L194 V199 A200 | I192-G196 PolarHBondContact O-N 3.23Å; G193-G196 PolarHBondContact O-N 3.39Å; L194-G196 VanDerWaalsContact C-N 3.32Å; L194-G196 PolarHBondContact O-N 3.23Å; G196-V199 PolarHBondContact O-N 3.44Å; G196-A200 WeakPolarHBondContact O-CB 3.28Å; G196-A200 PolarHBondContact O-N 3.22Å |
| 197 | V | 97.3 | Very high | 95.2 | Very high | 22 Ų | 22 | 62.4 Ų | 62.4 | 13% | 0.133 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.2 | -47.3 | 176.3 | 173.4 | 0 | 0 | 0 | 0 | 111.6 | Y109 M113 V150 G193 L194 F195 V199 A200 I201 | Y109-V197 HydrophobicContact CG-CG2 4.21Å; M113-V197 HydrophobicContact CG-CG1 4.07Å; M113-V197 HydrophobicContact CG-CG2 4.18Å; M113-V197 HydrophobicContact SD-CG1 3.87Å; V150-V197 HydrophobicContact CG2-CG2 4.07Å; G193-V197 PolarHBondContact O-N 2.97Å; G193-V197 VanDerWaalsContact O-N 3.13Å; L194-V197 PolarHBondContact O-N 3.33Å; F195-V197 VanDerWaalsContact C-N 3.34Å; F195-V197 PolarHBondContact O-N 3.21Å; V197-V199 VanDerWaalsContact C-N 3.34Å; V197-V199 PolarHBondContact O-N 3.3Å; V197-A200 PolarHBondContact O-N 2.96Å; V197-I201 HydrophobicContact CG1-CD1 3.84Å; V197-I201 HydrophobicContact CG1-CG1 4.48Å; V197-I201 WeakPolarHBondContact O-CG1 3.32Å; V197-I201 PolarHBondContact O-N 2.91Å |
| 198 | I | 97.6 | Very high | 94.7 | Very high | 91 Ų | 91 | 64.1 Ų | 64.1 | 47% | 0.467 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -58.5 | -47.4 | 179.7 | -68.2 | 164.5 | 0 | 0 | 0 | 110.6 | L194 F195 A200 I201 L202 | L194-I198 WeakPolarHBondContact O-CG1 3.29Å; L194-I198 PolarHBondContact O-N 3.37Å; F195-I198 HydrophobicContact CD1-CD1 4.42Å; F195-I198 PolarHBondContact O-N 3.44Å; I198-A200 PolarHBondContact O-N 3.5Å; I198-I201 PolarHBondContact O-N 2.79Å; I198-L202 HydrophobicContact CG2-CD1 4.17Å; I198-L202 WeakPolarHBondContact O-CG 3.38Å; I198-L202 PolarHBondContact O-N 3.24Å |
| 199 | V | 97.8 | Very high | 94.3 | Very high | 65 Ų | 65 | 57 Ų | 57 | 39% | 0.394 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.8 | -42.7 | 179.6 | 175.5 | 0 | 0 | 0 | 0 | 111.1 | T149 F195 G196 V197 I201 L202 Q203 | T149-V199 HydrophobicContact CG2-CB 4.2Å; T149-V199 HydrophobicContact CG2-CG1 3.96Å; F195-V199 WeakPolarHBondContact O-CG2 3.46Å; F195-V199 PolarHBondContact O-N 3.45Å; F195-V199 VanDerWaalsContact O-N 3.07Å; G196-V199 PolarHBondContact O-N 3.44Å; V197-V199 VanDerWaalsContact C-N 3.34Å; V197-V199 PolarHBondContact O-N 3.3Å; V199-I201 PolarHBondContact O-N 3.13Å; V199-L202 PolarHBondContact O-N 3.11Å; V199-Q203 HydrophobicContact CG1-CG 4.41Å; V199-Q203 WeakPolarHBondContact O-CG 3.29Å; V199-Q203 PolarHBondContact O-N 2.8Å |
| 200 | A | 96.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.7 | -41.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | M113 A146 V150 G196 V197 I198 Q203 T204 | M113-A200 HydrophobicContact CE-CB 3.83Å; A146-A200 HydrophobicContact CB-CB 4.12Å; V150-A200 HydrophobicContact CB-CB 4.17Å; G196-A200 WeakPolarHBondContact O-CB 3.28Å; G196-A200 PolarHBondContact O-N 3.22Å; V197-A200 PolarHBondContact O-N 2.96Å; I198-A200 PolarHBondContact O-N 3.5Å; A200-Q203 PolarHBondContact O-N 3.05Å; A200-T204 PolarHBondContact O-N 2.98Å; A200-T204 PolarHBondContact O-OG1 3.05Å |
| 201 | I | 96.5 | Very high | 93 | Very high | 81 Ų | 81 | 61.9 Ų | 61.9 | 42% | 0.415 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.3 | -42.1 | 174.5 | -67.2 | 169.2 | 0 | 0 | 0 | 111 | M113 V197 I198 V199 Q203 T204 S205 | M113-I201 HydrophobicContact CE-CG1 3.76Å; M113-I201 HydrophobicContact SD-CD1 4.08Å; M113-I201 HydrophobicContact SD-CG1 3.67Å; V197-I201 HydrophobicContact CG1-CD1 3.84Å; V197-I201 HydrophobicContact CG1-CG1 4.48Å; V197-I201 WeakPolarHBondContact O-CG1 3.32Å; V197-I201 PolarHBondContact O-N 2.91Å; I198-I201 PolarHBondContact O-N 2.79Å; V199-I201 PolarHBondContact O-N 3.13Å; I201-Q203 VanDerWaalsContact C-N 3.34Å; I201-Q203 PolarHBondContact O-N 3.29Å; I201-T204 PolarHBondContact O-N 2.91Å; I201-T204 PolarHBondContact O-OG1 3.26Å; I201-S205 WeakPolarHBondContact O-CB 3.44Å; I201-S205 PolarHBondContact O-N 3.49Å |
| 202 | L | 96.6 | Very high | 92.9 | Very high | 115 Ų | 115 | 63.7 Ų | 63.7 | 60% | 0.602 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -63.8 | -40.3 | 178.6 | -72.4 | 174.4 | 0 | 0 | 0 | 112 | I198 V199 T204 S205 | I198-L202 HydrophobicContact CG2-CD1 4.17Å; I198-L202 WeakPolarHBondContact O-CG 3.38Å; I198-L202 PolarHBondContact O-N 3.24Å; V199-L202 PolarHBondContact O-N 3.11Å; L202-T204 VanDerWaalsContact C-N 3.32Å; L202-T204 PolarHBondContact O-N 3.08Å; L202-S205 PolarHBondContact O-N 3.09Å; L202-S205 PolarHBondContact O-OG 3.07Å |
| 203 | Q | 95.1 | Very high | 92.8 | Very high | 73 Ų | 73 | 63.3 Ų | 63.3 | 34% | 0.341 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.3 | -39.4 | 176.9 | -72.9 | 174.6 | 2.3 | 0 | 0 | 112 | S142 G145 A146 V199 A200 I201 | S142-Q203 PolarHBondContact OG-O 3.39Å; G145-Q203 VanDerWaalsContact C-OE1 3.27Å; G145-Q203 PolarHBondContact O-OE1 2.95Å; A146-Q203 HydrophobicContact CB-CB 4.36Å; A146-Q203 VanDerWaalsContact N-OE1 3.08Å; V199-Q203 HydrophobicContact CG1-CG 4.41Å; V199-Q203 WeakPolarHBondContact O-CG 3.29Å; V199-Q203 PolarHBondContact O-N 2.8Å; A200-Q203 PolarHBondContact O-N 3.05Å; I201-Q203 VanDerWaalsContact C-N 3.34Å; I201-Q203 PolarHBondContact O-N 3.29Å |
| 204 | T | 94.6 | Very high | 92.7 | Very high | 2 Ų | 2 | 66.8 Ų | 66.8 | 1% | 0.012 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -93.9 | -6 | -177.5 | 62.2 | 0 | 0 | 0 | 0 | 114.6 | I117 M120 A146 A200 I201 L202 K206 V207 | I117-T204 HydrophobicContact CG1-CG2 4.48Å; M120-T204 WeakPolarHBondContact CE-O 3.39Å; M120-T204 HydrophobicContact SD-CG2 4.41Å; A146-T204 HydrophobicContact CB-CG2 3.51Å; A200-T204 PolarHBondContact O-N 2.98Å; A200-T204 PolarHBondContact O-OG1 3.05Å; I201-T204 PolarHBondContact O-N 2.91Å; I201-T204 PolarHBondContact O-OG1 3.26Å; L202-T204 VanDerWaalsContact C-N 3.32Å; L202-T204 PolarHBondContact O-N 3.08Å; T204-K206 PolarHBondContact O-N 2.67Å; T204-K206 VanDerWaalsContact O-N 3.09Å; T204-V207 WeakPolarHBondContact O-CB 3.42Å; T204-V207 PolarHBondContact O-N 3.06Å; T204-V207 VanDerWaalsContact O-N 3.08Å |
| 205 | S | 92.6 | Very high | 92.5 | Very high | 73 Ų | 73 | 66.4 Ų | 66.4 | 51% | 0.51 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -29 | -174.6 | 63.2 | 0 | 0 | 0 | 0 | 115.8 | I201 L202 | I201-S205 WeakPolarHBondContact O-CB 3.44Å; I201-S205 PolarHBondContact O-N 3.49Å; L202-S205 PolarHBondContact O-N 3.09Å; L202-S205 PolarHBondContact O-OG 3.07Å |
| 206 | K | 89.2 | Confident | 92.2 | Very high | 201 Ų | 201 | 62.2 Ų | 62.2 | 87% | 0.874 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.6 | 18.5 | -178.6 | -63.1 | -178.8 | -178.4 | 178.6 | 0 | 112.7 | T204 | T204-K206 PolarHBondContact O-N 2.67Å; T204-K206 VanDerWaalsContact O-N 3.09Å |
| 207 | V | 90.6 | Very high | 91.9 | Very high | 21 Ų | 21 | 66.1 Ų | 66.1 | 13% | 0.127 | 34% | 0.339 | C | S | . | . | trans | -105.9 | 130.1 | -173.4 | 175 | 0 | 0 | 0 | 0 | 109.6 | A139 M143 T204 | A139-V207 HydrophobicContact CB-CG1 3.46Å; A139-V207 VanDerWaalsContact CB-CG1 3.46Å; M143-V207 HydrophobicContact CE-CG1 4.23Å; T204-V207 WeakPolarHBondContact O-CB 3.42Å; T204-V207 PolarHBondContact O-N 3.06Å; T204-V207 VanDerWaalsContact O-N 3.08Å | ||
| 208 | K | 83.8 | Confident | 91.5 | Very high | 121 Ų | 121 | 69.2 Ų | 69.2 | 53% | 0.526 | 35% | 0.354 | S | S | . | . | trans | -136.5 | 123.4 | 168.4 | -170.8 | 177.4 | -179.9 | -170.8 | 0 | 108.9 | E122 | E122-K208 WeakPolarHBondContact OE1-CE 3.32Å; E122-K208 IonicContact OE1-NZ 3.93Å; E122-K208 WeakPolarHBondContact OE2-CE 3.3Å; E122-K208 IonicContact OE2-NZ 3.87Å | ||
| 209 | M | 87.6 | Confident | 91.1 | Very high | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 35% | 0.345 | C | S | . | . | trans | -95.7 | 145.9 | 171.5 | -166.4 | 171.9 | -175.5 | 0 | 0 | 108.2 | P52 F53 A56 M120 A121 E122 F124 A139 M143 | P52-M209 HydrophobicContact CB-CE 4.05Å; F53-M209 HydrophobicContact CD1-CE 3.4Å; F53-M209 HydrophobicContact CE1-CE 3.43Å; F53-M209 VanDerWaalsContact CE1-CE 3.43Å; F53-M209 HydrophobicContact CE1-SD 4.49Å; F53-M209 HydrophobicContact CG-CE 3.97Å; F53-M209 HydrophobicContact CZ-CE 4.03Å; A56-M209 HydrophobicContact CB-SD 4.31Å; M120-M209 WeakPolarHBondContact O-CB 3.44Å; A121-M209 HydrophobicContact CB-SD 4.3Å; E122-M209 VanDerWaalsContact CB-O 3.26Å; E122-M209 WeakPolarHBondContact CB-O 3.26Å; E122-M209 WeakPolarHBondContact CG-O 3.45Å; F124-M209 HydrophobicContact CD1-CE 4.12Å; F124-M209 HydrophobicContact CD1-CG 4.38Å; F124-M209 HydrophobicContact CE1-CE 3.53Å; A139-M209 HydrophobicContact CB-CB 3.89Å; A139-M209 HydrophobicContact CB-CG 4.29Å; M143-M209 HydrophobicContact CE-CB 3.75Å; M143-M209 HydrophobicContact CE-SD 4.11Å; M143-M209 HydrophobicContact SD-SD 4.1Å | ||
| 210 | G | 86.4 | Confident | 90.5 | Very high | 2 Ų | 2 | 67.8 Ų | 67.8 | 2% | 0.021 | 34% | 0.341 | C | S | . | . | trans | 132.7 | -176.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | R135 N136 | R135-G210 PolarHBondContact NH2-O 2.89Å; N136-G210 PolarHBondContact ND2-O 3.09Å; N136-G210 PolarHBondContact OD1-N 2.94Å; N136-G210 PolarHBondContact OD1-O 2.69Å; N136-G210 VanDerWaalsContact OD1-O 3.05Å | ||
| 211 | D | 76.1 | Confident | 89.9 | Confident | 124 Ų | 124 | 73.9 Ų | 73.9 | 66% | 0.663 | 37% | 0.372 | S | S | * | . | trans | -88.8 | 0 | 173.3 | -71.8 | -29.1 | 0 | 0 | 0 | 111.7 | F124 T125 R135 | F124-D211 WeakPolarHBondContact CB-OD1 3.38Å; T125-D211 PolarHBondContact N-OD2 3.45Å; T125-D211 VanDerWaalsContact N-OD2 3.09Å; T125-D211 PolarHBondContact OG1-OD2 3.17Å; R135-D211 PolarHBondContact NH2-OXT 3.44Å |
Retrieved 211 of 211 residues in 157.5 ms
(Link to these results)